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Nickel in PDB 3foo: A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form

Protein crystallography data

The structure of A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form, PDB code: 3foo was solved by R.J.Radford, F.A.Tezcan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 98.53 / 2.40
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 70.339, 107.396, 102.051, 90.00, 105.52, 90.00
R / Rfree (%) 20.9 / 26.8

Nickel Binding Sites:

The binding sites of Nickel atom in the A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form (pdb code 3foo). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 24 binding sites of Nickel where determined in the A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form, PDB code: 3foo:
Jump to Nickel binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10; 11; 12; 13; 14; 15; 16; 17; 18; 19; 20; 21; 22; 23; 24;

Nickel binding site 1 out of 24 in 3foo

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Nickel binding site 1 out of 24 in the A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form


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Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ni107

b:66.2
occ:1.00
O A:ALA1 2.3 45.5 1.0
OD2 A:ASP39 2.6 43.5 1.0
N A:ALA1 2.8 45.8 1.0
O A:HOH166 3.0 35.5 1.0
OD1 A:ASP39 3.1 42.2 1.0
C A:ALA1 3.1 45.8 1.0
CG A:ASP39 3.2 42.2 1.0
CA A:ALA1 3.4 45.8 1.0
CB A:ALA1 4.0 45.8 1.0
N A:ASP2 4.3 45.7 1.0
ND2 A:ASN6 4.4 41.6 1.0
CB A:ASP39 4.6 41.5 1.0
O A:ASP39 4.7 41.1 1.0
CA A:ASP2 5.0 45.6 1.0

Nickel binding site 2 out of 24 in 3foo

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Nickel binding site 2 out of 24 in the A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form


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Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ni108

b:34.8
occ:1.00
NAK C:PXX151 2.1 31.1 1.0
NAJ C:PXX151 2.1 30.3 1.0
ND1 A:HIS77 2.1 34.9 1.0
O C:HOH125 2.2 37.4 1.0
O C:HOH124 2.7 19.4 1.0
CAR C:PXX151 2.9 30.1 1.0
CAQ C:PXX151 2.9 30.1 1.0
CE1 A:HIS77 3.0 34.0 1.0
CAF C:PXX151 3.1 30.5 1.0
CAE C:PXX151 3.1 31.0 1.0
CG A:HIS77 3.2 35.5 1.0
CB A:HIS77 3.6 36.2 1.0
NE2 A:HIS77 4.1 33.4 1.0
CD2 A:HIS77 4.2 34.3 1.0
CAP C:PXX151 4.2 30.8 1.0
CAO C:PXX151 4.3 30.9 1.0
CA A:HIS77 4.3 36.8 1.0
CAD C:PXX151 4.4 30.7 1.0
CAC C:PXX151 4.4 30.2 1.0
O C:HOH170 4.6 28.8 1.0
O C:LYS42 4.6 40.7 1.0
CAH C:PXX151 4.8 30.1 1.0
CAG C:PXX151 4.9 30.3 1.0

Nickel binding site 3 out of 24 in 3foo

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Nickel binding site 3 out of 24 in the A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form


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Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 3 of A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ni107

b:76.5
occ:1.00
O B:ALA1 1.9 46.1 1.0
N B:ALA1 2.4 46.4 1.0
OD2 B:ASP39 2.5 42.5 1.0
O B:HOH171 2.7 35.3 1.0
C B:ALA1 2.8 46.0 1.0
CA B:ALA1 3.1 46.3 1.0
CG B:ASP39 3.3 41.6 1.0
OD1 B:ASP39 3.5 42.2 1.0
N B:ASP2 4.0 45.7 1.0
CB B:ALA1 4.1 46.4 1.0
ND2 B:ASN6 4.6 41.4 1.0
CA B:ASP2 4.6 45.6 1.0
CB B:ASP39 4.6 41.3 1.0
O B:ASP39 4.6 40.9 1.0

Nickel binding site 4 out of 24 in 3foo

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Nickel binding site 4 out of 24 in the A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form


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Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 4 of A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ni108

b:31.7
occ:1.00
NAJ A:PXX151 2.1 28.9 1.0
NAK A:PXX151 2.1 29.0 1.0
ND1 B:HIS77 2.1 33.7 1.0
CAQ A:PXX151 2.9 29.1 1.0
CAR A:PXX151 2.9 28.6 1.0
O B:HOH121 2.9 16.3 1.0
CE1 B:HIS77 3.0 33.5 1.0
CAE A:PXX151 3.1 28.6 1.0
CAF A:PXX151 3.1 28.6 1.0
CG B:HIS77 3.2 34.9 1.0
O A:HOH120 3.5 28.8 1.0
CB B:HIS77 3.6 36.2 1.0
NE2 B:HIS77 4.2 33.5 1.0
CAO A:PXX151 4.2 28.8 1.0
CAP A:PXX151 4.3 28.4 1.0
CD2 B:HIS77 4.3 34.3 1.0
CAC A:PXX151 4.4 28.5 1.0
O A:LYS42 4.4 40.3 1.0
CAD A:PXX151 4.4 29.1 1.0
CA B:HIS77 4.4 36.5 1.0
CAG A:PXX151 4.9 28.6 1.0
CAH A:PXX151 4.9 27.9 1.0

Nickel binding site 5 out of 24 in 3foo

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Nickel binding site 5 out of 24 in the A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form


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Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 5 of A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ni107

b:73.6
occ:1.00
N C:ALA1 2.1 46.0 1.0
OD2 C:ASP39 2.4 42.6 1.0
O C:ALA1 2.4 45.6 1.0
C C:ALA1 3.1 45.9 1.0
CA C:ALA1 3.1 45.9 1.0
CG C:ASP39 3.4 41.9 1.0
OD1 C:ASP39 3.7 43.4 1.0
CB C:ALA1 4.3 46.0 1.0
N C:ASP2 4.4 45.8 1.0
ND2 C:ASN6 4.6 41.7 1.0
CB C:ASP39 4.7 41.1 1.0
O C:ASP39 4.8 40.9 1.0

Nickel binding site 6 out of 24 in 3foo

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Nickel binding site 6 out of 24 in the A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form


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Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 6 of A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ni108

b:31.1
occ:1.00
O C:HOH123 2.0 27.6 1.0
NAJ B:PXX151 2.1 26.8 1.0
NAK B:PXX151 2.1 26.6 1.0
ND1 C:HIS77 2.1 33.2 1.0
O B:HOH122 2.2 27.8 1.0
CAQ B:PXX151 2.9 26.3 1.0
CAR B:PXX151 2.9 26.1 1.0
CE1 C:HIS77 3.0 33.0 1.0
CAE B:PXX151 3.1 26.0 1.0
CAF B:PXX151 3.1 26.2 1.0
CG C:HIS77 3.2 34.9 1.0
CB C:HIS77 3.6 35.9 1.0
NE2 C:HIS77 4.2 33.1 1.0
CAO B:PXX151 4.2 26.0 1.0
CAP B:PXX151 4.3 25.9 1.0
CD2 C:HIS77 4.3 34.4 1.0
CAC B:PXX151 4.3 26.4 1.0
O B:LYS42 4.4 39.9 1.0
CA C:HIS77 4.4 36.4 1.0
CAD B:PXX151 4.4 25.9 1.0
CAG B:PXX151 4.8 25.7 1.0
CAH B:PXX151 4.9 25.6 1.0

Nickel binding site 7 out of 24 in 3foo

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Nickel binding site 7 out of 24 in the A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form


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Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 7 of A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ni107

b:74.3
occ:1.00
N D:ALA1 2.2 45.9 1.0
O D:ALA1 2.3 45.8 1.0
OD2 D:ASP39 2.5 43.9 1.0
C D:ALA1 3.0 45.9 1.0
CA D:ALA1 3.2 45.9 1.0
CG D:ASP39 3.2 42.3 1.0
O D:HOH145 3.4 39.1 1.0
OD1 D:ASP39 3.4 43.4 1.0
N D:ASP2 4.3 45.7 1.0
CB D:ALA1 4.3 46.2 1.0
CB D:ASP39 4.6 41.2 1.0
ND2 D:ASN6 4.7 41.9 1.0
O D:ASP39 4.8 41.0 1.0
CA D:ASP2 4.9 45.6 1.0

Nickel binding site 8 out of 24 in 3foo

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Nickel binding site 8 out of 24 in the A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form


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Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 8 of A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ni108

b:32.5
occ:1.00
NAK F:PXX151 2.1 30.5 1.0
NAJ F:PXX151 2.1 30.6 1.0
ND1 D:HIS77 2.1 33.2 1.0
O F:HOH119 2.5 33.6 1.0
CAQ F:PXX151 2.9 30.5 1.0
CAR F:PXX151 2.9 30.7 1.0
O F:HOH118 3.0 14.5 1.0
CE1 D:HIS77 3.1 33.3 1.0
CAF F:PXX151 3.1 30.7 1.0
CAE F:PXX151 3.1 30.4 1.0
CG D:HIS77 3.2 35.2 1.0
CB D:HIS77 3.5 36.2 1.0
NE2 D:HIS77 4.2 33.8 1.0
CAO F:PXX151 4.2 30.7 1.0
CAP F:PXX151 4.3 30.9 1.0
CD2 D:HIS77 4.3 34.2 1.0
CA D:HIS77 4.3 36.6 1.0
CAD F:PXX151 4.4 30.7 1.0
CAC F:PXX151 4.4 30.5 1.0
O F:LYS42 4.5 40.1 1.0
O D:HOH148 4.7 32.5 1.0
CAG F:PXX151 4.9 30.4 1.0
CAH F:PXX151 4.9 30.0 1.0

Nickel binding site 9 out of 24 in 3foo

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Nickel binding site 9 out of 24 in the A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form


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Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 9 of A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ni107

b:60.0
occ:1.00
N E:ALA1 2.2 45.5 1.0
O E:ALA1 2.3 45.8 1.0
OD2 E:ASP39 2.3 44.3 1.0
O E:HOH149 2.5 27.5 1.0
C E:ALA1 3.0 45.8 1.0
CA E:ALA1 3.2 45.6 1.0
CG E:ASP39 3.3 42.8 1.0
OD1 E:ASP39 3.6 44.0 1.0
CB E:ALA1 4.1 45.7 1.0
N E:ASP2 4.3 45.5 1.0
CB E:ASP39 4.6 41.2 1.0
ND2 E:ASN6 4.6 42.9 1.0
O E:ASP39 4.7 41.3 1.0
CA E:ASP2 4.9 45.5 1.0

Nickel binding site 10 out of 24 in 3foo

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Nickel binding site 10 out of 24 in the A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form


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Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 10 of A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ni108

b:36.5
occ:1.00
NAK D:PXX151 2.1 31.8 1.0
NAJ D:PXX151 2.1 31.1 1.0
ND1 E:HIS77 2.1 34.3 1.0
O D:HOH113 2.5 24.0 1.0
O D:HOH114 2.6 23.4 1.0
CE1 E:HIS77 2.9 33.4 1.0
CAQ D:PXX151 2.9 30.4 1.0
CAR D:PXX151 2.9 31.0 1.0
CAF D:PXX151 3.1 30.7 1.0
CAE D:PXX151 3.1 31.1 1.0
CG E:HIS77 3.3 35.1 1.0
CB E:HIS77 3.8 36.2 1.0
NE2 E:HIS77 4.1 33.5 1.0
CAO D:PXX151 4.3 30.4 1.0
CAP D:PXX151 4.3 31.0 1.0
CD2 E:HIS77 4.3 33.8 1.0
CAD D:PXX151 4.4 30.4 1.0
CAC D:PXX151 4.4 30.8 1.0
O D:LYS42 4.4 40.1 1.0
CA E:HIS77 4.5 36.7 1.0
CAH D:PXX151 4.9 30.2 1.0
CAG D:PXX151 4.9 30.8 1.0

Nickel binding site 11 out of 24 in 3foo

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Nickel binding site 11 out of 24 in the A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form


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Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 11 of A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Ni107

b:58.0
occ:1.00
OD2 F:ASP39 2.3 43.2 1.0
N F:ALA1 2.3 46.0 1.0
O F:ALA1 2.4 46.1 1.0
OD1 F:ASP39 2.8 43.6 1.0
CG F:ASP39 2.9 42.3 1.0
C F:ALA1 3.1 46.1 1.0
CA F:ALA1 3.3 46.0 1.0
O F:HOH160 3.9 42.9 1.0
CB F:ALA1 4.2 45.8 1.0
CB F:ASP39 4.3 41.6 1.0
N F:ASP2 4.4 46.0 1.0
O F:ASP39 4.4 41.0 1.0
ND2 F:ASN6 4.5 41.3 1.0

Nickel binding site 12 out of 24 in 3foo

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Nickel binding site 12 out of 24 in the A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form


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Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 12 of A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Ni108

b:32.4
occ:1.00
NAK E:PXX151 2.1 29.4 1.0
NAJ E:PXX151 2.1 29.6 1.0
ND1 F:HIS77 2.2 33.9 1.0
O E:HOH117 2.3 40.2 1.0
O F:HOH116 2.9 23.0 1.0
CAR E:PXX151 2.9 28.9 1.0
CAQ E:PXX151 2.9 29.1 1.0
CE1 F:HIS77 3.0 33.5 1.0
CAF E:PXX151 3.1 29.1 1.0
CAE E:PXX151 3.1 29.1 1.0
CG F:HIS77 3.2 34.9 1.0
CB F:HIS77 3.6 35.5 1.0
NE2 F:HIS77 4.2 33.8 1.0
CD2 F:HIS77 4.3 33.1 1.0
CAO E:PXX151 4.3 29.2 1.0
CAP E:PXX151 4.3 29.3 1.0
CAD E:PXX151 4.4 29.2 1.0
CA F:HIS77 4.4 36.2 1.0
CAC E:PXX151 4.4 29.3 1.0
O E:LYS42 4.6 40.4 1.0
CAH E:PXX151 4.9 28.6 1.0
CAG E:PXX151 4.9 29.4 1.0

Nickel binding site 13 out of 24 in 3foo

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Nickel binding site 13 out of 24 in the A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form


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Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 13 of A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Ni107

b:67.3
occ:1.00
O G:ALA1 2.3 46.4 1.0
OD2 G:ASP39 2.3 43.9 1.0
OD1 G:ASP39 3.0 43.4 1.0
CG G:ASP39 3.0 42.0 1.0
C G:ALA1 3.2 46.2 1.0
N G:ALA1 3.3 46.5 1.0
CA G:ALA1 3.6 46.2 1.0
CB G:ALA1 3.7 46.4 1.0
N G:ASP2 4.5 46.1 1.0
CB G:ASP39 4.5 41.0 1.0
O G:ASP39 4.6 40.7 1.0
ND2 G:ASN6 4.6 41.1 1.0

Nickel binding site 14 out of 24 in 3foo

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Nickel binding site 14 out of 24 in the A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form


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Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 14 of A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Ni108

b:29.1
occ:1.00
NAK I:PXX151 2.1 29.2 1.0
NAJ I:PXX151 2.1 29.6 1.0
ND1 G:HIS77 2.2 33.8 1.0
O G:HOH112 2.4 19.8 1.0
O I:HOH110 2.5 42.1 1.0
CAR I:PXX151 2.9 28.5 1.0
CAQ I:PXX151 2.9 29.1 1.0
CE1 G:HIS77 3.1 33.4 1.0
CAF I:PXX151 3.1 29.6 1.0
CAE I:PXX151 3.1 29.4 1.0
CG G:HIS77 3.3 34.8 1.0
CB G:HIS77 3.7 36.0 1.0
NE2 G:HIS77 4.3 33.2 1.0
CAP I:PXX151 4.3 28.9 1.0
CAO I:PXX151 4.3 29.2 1.0
CD2 G:HIS77 4.4 33.7 1.0
CAD I:PXX151 4.4 29.1 1.0
CAC I:PXX151 4.4 29.2 1.0
CA G:HIS77 4.5 36.4 1.0
O I:LYS42 4.6 40.3 1.0
CAH I:PXX151 4.9 28.2 1.0
CAG I:PXX151 4.9 28.9 1.0

Nickel binding site 15 out of 24 in 3foo

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Nickel binding site 15 out of 24 in the A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form


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Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 15 of A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Ni107

b:63.0
occ:1.00
OD2 H:ASP39 2.1 43.5 1.0
O H:ALA1 2.2 46.4 1.0
N H:ALA1 2.9 46.5 1.0
C H:ALA1 3.0 46.3 1.0
CG H:ASP39 3.1 42.2 1.0
CA H:ALA1 3.3 46.3 1.0
OD1 H:ASP39 3.4 43.0 1.0
CB H:ALA1 3.7 46.3 1.0
N H:ASP2 4.1 46.0 1.0
ND2 H:ASN6 4.4 42.0 1.0
CB H:ASP39 4.4 41.2 1.0
CA H:ASP2 4.7 45.7 1.0
O H:ASP39 5.0 40.8 1.0

Nickel binding site 16 out of 24 in 3foo

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Nickel binding site 16 out of 24 in the A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form


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Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 16 of A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Ni108

b:29.9
occ:1.00
ND1 H:HIS77 2.1 32.8 1.0
NAJ G:PXX151 2.2 23.8 1.0
NAK G:PXX151 2.3 24.7 1.0
O G:HOH109 2.5 32.3 1.0
O G:HOH110 2.7 21.6 1.0
CE1 H:HIS77 2.9 32.4 1.0
CAQ G:PXX151 3.0 24.1 1.0
CAR G:PXX151 3.0 24.1 1.0
CAE G:PXX151 3.2 24.5 1.0
CG H:HIS77 3.2 34.5 1.0
CAF G:PXX151 3.3 24.9 1.0
CB H:HIS77 3.7 35.5 1.0
NE2 H:HIS77 4.1 33.2 1.0
CD2 H:HIS77 4.3 33.4 1.0
CAO G:PXX151 4.4 24.4 1.0
CAP G:PXX151 4.4 24.1 1.0
CAC G:PXX151 4.5 24.2 1.0
CA H:HIS77 4.5 36.0 1.0
O G:LYS42 4.5 39.9 1.0
CAD G:PXX151 4.6 24.5 1.0
CAG G:PXX151 5.0 24.5 1.0

Nickel binding site 17 out of 24 in 3foo

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Nickel binding site 17 out of 24 in the A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form


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Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 17 of A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Ni107

b:58.4
occ:1.00
N I:ALA1 2.1 45.7 1.0
O I:ALA1 2.2 45.8 1.0
OD2 I:ASP39 2.6 43.8 1.0
OD1 I:ASP39 2.9 43.4 1.0
C I:ALA1 2.9 45.7 1.0
CA I:ALA1 3.1 45.8 1.0
CG I:ASP39 3.1 42.1 1.0
N I:ASP2 4.2 45.5 1.0
CB I:ALA1 4.2 45.8 1.0
CB I:ASP39 4.6 41.2 1.0
ND2 I:ASN6 4.6 40.6 1.0
O I:ASP39 4.7 40.3 1.0
CA I:ASP2 4.9 45.3 1.0

Nickel binding site 18 out of 24 in 3foo

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Nickel binding site 18 out of 24 in the A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form


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Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 18 of A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Ni108

b:29.7
occ:1.00
NAK H:PXX151 2.1 24.6 1.0
ND1 I:HIS77 2.1 33.3 1.0
NAJ H:PXX151 2.1 25.0 1.0
O H:HOH111 2.4 29.4 1.0
O H:HOH112 2.6 24.4 1.0
CAR H:PXX151 2.9 23.9 1.0
CE1 I:HIS77 2.9 33.5 1.0
CAQ H:PXX151 2.9 24.1 1.0
CAF H:PXX151 3.1 24.0 1.0
CAE H:PXX151 3.2 24.0 1.0
CG I:HIS77 3.3 34.8 1.0
CB I:HIS77 3.8 35.9 1.0
NE2 I:HIS77 4.1 33.8 1.0
CAP H:PXX151 4.2 23.8 1.0
CAO H:PXX151 4.3 25.0 1.0
CD2 I:HIS77 4.3 33.5 1.0
CAD H:PXX151 4.4 24.1 1.0
O H:LYS42 4.4 40.9 1.0
CAC H:PXX151 4.4 24.3 1.0
CA I:HIS77 4.5 36.4 1.0
CAH H:PXX151 4.8 24.4 1.0
CAG H:PXX151 4.9 23.5 1.0

Nickel binding site 19 out of 24 in 3foo

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Nickel binding site 19 out of 24 in the A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 19 of A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Ni107

b:58.0
occ:1.00
OD2 J:ASP39 2.2 43.3 1.0
O J:ALA1 2.4 45.8 1.0
N J:ALA1 2.7 46.0 1.0
O J:HOH182 2.9 36.3 1.0
CG J:ASP39 3.1 42.0 1.0
C J:ALA1 3.2 45.8 1.0
OD1 J:ASP39 3.2 42.0 1.0
CA J:ALA1 3.3 46.0 1.0
CB J:ALA1 3.6 45.8 1.0
N J:ASP2 4.4 45.5 1.0
ND2 J:ASN6 4.5 40.6 1.0
CB J:ASP39 4.5 41.0 1.0
O J:ASP39 4.9 40.7 1.0

Nickel binding site 20 out of 24 in 3foo

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Nickel binding site 20 out of 24 in the A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 20 of A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Ni108

b:31.3
occ:1.00
O K:HOH112 2.0 31.8 1.0
ND1 J:HIS77 2.1 32.9 1.0
NAJ K:PXX151 2.1 26.9 1.0
NAK K:PXX151 2.1 27.2 1.0
O K:HOH113 2.6 24.2 1.0
CAQ K:PXX151 2.9 27.1 1.0
CAR K:PXX151 2.9 26.4 1.0
CE1 J:HIS77 3.0 33.1 1.0
CAE K:PXX151 3.1 26.9 1.0
CAF K:PXX151 3.1 27.1 1.0
CG J:HIS77 3.1 34.8 1.0
CB J:HIS77 3.5 36.3 1.0
NE2 J:HIS77 4.2 34.0 1.0
CD2 J:HIS77 4.2 34.2 1.0
CAO K:PXX151 4.3 27.4 1.0
CAP K:PXX151 4.3 27.0 1.0
CAC K:PXX151 4.4 26.7 1.0
CA J:HIS77 4.4 36.3 1.0
CAD K:PXX151 4.4 27.2 1.0
O K:HOH190 4.5 31.0 1.0
O K:LYS42 4.6 40.3 1.0
CAG K:PXX151 4.9 27.1 1.0
CAH K:PXX151 4.9 26.7 1.0

Nickel binding site 21 out of 24 in 3foo

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Nickel binding site 21 out of 24 in the A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 21 of A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Ni107

b:73.9
occ:1.00
O K:ALA1 2.2 45.8 1.0
OD2 K:ASP39 2.3 42.7 1.0
OD1 K:ASP39 2.8 41.8 1.0
N K:ALA1 2.8 46.2 1.0
CG K:ASP39 2.9 41.6 1.0
C K:ALA1 3.1 45.9 1.0
O K:HOH188 3.2 36.6 1.0
CA K:ALA1 3.6 46.1 1.0
N K:ASP2 4.3 45.8 1.0
CB K:ASP39 4.4 40.9 1.0
CB K:ALA1 4.6 46.0 1.0
O K:ASP39 4.7 40.1 1.0
ND2 K:ASN6 4.7 41.4 1.0
CA K:ASP2 4.9 45.7 1.0

Nickel binding site 22 out of 24 in 3foo

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Nickel binding site 22 out of 24 in the A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 22 of A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Ni108

b:33.7
occ:1.00
NAJ L:PXX151 2.1 31.2 1.0
NAK L:PXX151 2.1 31.2 1.0
ND1 K:HIS77 2.1 33.9 1.0
O K:HOH128 2.7 27.7 1.0
CAQ L:PXX151 2.9 30.6 1.0
CAR L:PXX151 2.9 31.0 1.0
O K:HOH129 2.9 22.0 1.0
CE1 K:HIS77 3.0 32.9 1.0
CAE L:PXX151 3.1 30.6 1.0
CAF L:PXX151 3.1 30.6 1.0
CG K:HIS77 3.2 35.0 1.0
CB K:HIS77 3.7 36.3 1.0
NE2 K:HIS77 4.1 32.2 1.0
CAO L:PXX151 4.2 30.5 1.0
CAP L:PXX151 4.2 31.0 1.0
CD2 K:HIS77 4.3 34.1 1.0
CAC L:PXX151 4.4 30.8 1.0
CAD L:PXX151 4.4 30.4 1.0
CA K:HIS77 4.5 36.8 1.0
O L:LYS42 4.6 40.5 1.0
CAG L:PXX151 4.8 30.8 1.0
CAH L:PXX151 4.8 30.7 1.0

Nickel binding site 23 out of 24 in 3foo

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Nickel binding site 23 out of 24 in the A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 23 of A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ni107

b:67.3
occ:1.00
O L:ALA1 1.9 45.6 1.0
O L:HOH194 2.5 42.2 1.0
OD1 L:ASP39 2.7 41.0 1.0
OD2 L:ASP39 2.8 42.3 1.0
N L:ALA1 2.9 45.7 1.0
C L:ALA1 2.9 45.7 1.0
CG L:ASP39 3.1 41.3 1.0
CA L:ALA1 3.5 45.7 1.0
N L:ASP2 4.1 45.5 1.0
ND2 L:ASN6 4.4 41.4 1.0
CB L:ALA1 4.4 45.5 1.0
O L:ASP39 4.4 40.7 1.0
CA L:ASP2 4.5 45.3 1.0
CB L:ASP39 4.6 40.6 1.0
C L:ASP39 5.0 40.6 1.0

Nickel binding site 24 out of 24 in 3foo

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Nickel binding site 24 out of 24 in the A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 24 of A Triangular Cytochrome B562 Superstructure Mediated By Ni Coordination - Monoclinic Form within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ni108

b:28.6
occ:1.00
NAK J:PXX151 2.1 26.5 1.0
NAJ J:PXX151 2.1 27.3 1.0
ND1 L:HIS77 2.1 31.9 1.0
O J:HOH126 2.5 29.0 1.0
O L:HOH127 2.7 19.5 1.0
CAR J:PXX151 2.9 26.5 1.0
CAQ J:PXX151 2.9 26.8 1.0
CE1 L:HIS77 2.9 31.8 1.0
CAF J:PXX151 3.1 27.0 1.0
CAE J:PXX151 3.1 26.8 1.0
CG L:HIS77 3.2 34.6 1.0
CB L:HIS77 3.7 35.9 1.0
NE2 L:HIS77 4.1 32.7 1.0
CAP J:PXX151 4.2 26.8 1.0
CAO J:PXX151 4.2 26.9 1.0
CD2 L:HIS77 4.2 33.1 1.0
CAD J:PXX151 4.4 27.0 1.0
CAC J:PXX151 4.4 26.9 1.0
CA L:HIS77 4.5 36.4 1.0
O J:LYS42 4.5 39.8 1.0
CAH J:PXX151 4.8 27.4 1.0
CAG J:PXX151 4.9 26.7 1.0

Reference:

R.J.Radford, F.A.Tezcan. A Superprotein Triangle Driven By Nickel(II) Coordination: Exploiting Non-Natural Metal Ligands in Protein Self-Assembly J.Am.Chem.Soc. V. 131 9136 2009.
ISSN: ISSN 0002-7863
PubMed: 19527025
DOI: 10.1021/JA9000695
Page generated: Fri Sep 25 08:21:52 2020
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