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Nickel in PDB 4wtz: Human CEACAM6-CEACAM8 N-Domain Heterodimer Complex

Protein crystallography data

The structure of Human CEACAM6-CEACAM8 N-Domain Heterodimer Complex, PDB code: 4wtz was solved by K.N.Kirouac, G.G.Prive, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 83.49 / 2.52
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 109.146, 113.582, 123.151, 90.00, 90.00, 90.00
R / Rfree (%) 20.5 / 23.4

Nickel Binding Sites:

The binding sites of Nickel atom in the Human CEACAM6-CEACAM8 N-Domain Heterodimer Complex (pdb code 4wtz). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 3 binding sites of Nickel where determined in the Human CEACAM6-CEACAM8 N-Domain Heterodimer Complex, PDB code: 4wtz:
Jump to Nickel binding site number: 1; 2; 3;

Nickel binding site 1 out of 3 in 4wtz

Go back to Nickel Binding Sites List in 4wtz
Nickel binding site 1 out of 3 in the Human CEACAM6-CEACAM8 N-Domain Heterodimer Complex


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Human CEACAM6-CEACAM8 N-Domain Heterodimer Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ni201

b:44.7
occ:1.00
O D:HOH216 1.9 43.1 1.0
NE2 D:HIS105 2.2 43.7 1.0
NE2 E:HIS105 2.2 44.4 1.0
NE2 A:HIS105 2.3 43.6 1.0
CE1 D:HIS105 3.1 43.0 1.0
CD2 E:HIS105 3.1 42.0 1.0
CE1 E:HIS105 3.1 43.4 1.0
CD2 D:HIS105 3.1 41.6 1.0
CE1 A:HIS105 3.2 44.0 1.0
CD2 A:HIS105 3.3 42.6 1.0
ND1 D:HIS105 4.2 41.0 1.0
ND1 E:HIS105 4.2 41.3 1.0
CG E:HIS105 4.3 39.8 1.0
CG D:HIS105 4.3 40.4 1.0
O A:VAL106 4.3 47.1 1.0
ND1 A:HIS105 4.4 42.8 1.0
CG A:HIS105 4.4 41.4 1.0
O E:VAL106 4.4 45.3 1.0
O D:VAL106 4.5 45.7 1.0
O A:HOH312 4.9 41.5 1.0

Nickel binding site 2 out of 3 in 4wtz

Go back to Nickel Binding Sites List in 4wtz
Nickel binding site 2 out of 3 in the Human CEACAM6-CEACAM8 N-Domain Heterodimer Complex


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Human CEACAM6-CEACAM8 N-Domain Heterodimer Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ni202

b:0.5
occ:1.00
ND1 A:HIS22 3.0 64.4 1.0
O A:HOH314 3.0 54.1 1.0
OE2 H:GLU37 3.2 71.3 1.0
CG A:HIS22 3.9 60.9 1.0
CA A:HIS22 3.9 55.8 1.0
CE1 A:HIS22 3.9 64.8 1.0
CB A:HIS22 3.9 58.2 1.0
N A:ASN23 4.3 57.8 1.0
CD H:GLU37 4.4 67.4 1.0
O A:HOH313 4.5 45.4 1.0
O A:ALA21 4.6 51.8 1.0
C A:HIS22 4.7 56.9 1.0
N A:HIS22 4.9 51.8 1.0

Nickel binding site 3 out of 3 in 4wtz

Go back to Nickel Binding Sites List in 4wtz
Nickel binding site 3 out of 3 in the Human CEACAM6-CEACAM8 N-Domain Heterodimer Complex


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 3 of Human CEACAM6-CEACAM8 N-Domain Heterodimer Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ni201

b:46.0
occ:1.00
O B:HOH304 2.1 37.0 1.0
NE2 C:HIS105 2.2 49.6 1.0
NE2 B:HIS105 2.4 48.5 1.0
CE1 C:HIS105 3.1 49.8 1.0
CD2 C:HIS105 3.2 48.7 1.0
CD2 B:HIS105 3.3 46.6 1.0
CE1 B:HIS105 3.3 47.6 1.0
ND1 C:HIS105 4.3 48.4 1.0
O B:VAL106 4.3 45.5 1.0
CG C:HIS105 4.4 47.6 1.0
ND1 B:HIS105 4.4 45.7 1.0
CG B:HIS105 4.5 44.6 1.0
O C:VAL106 4.5 50.8 1.0

Reference:

K.N.Kirouac, G.G.Prive. Human CEACAM6-CEACAM8 N-Domain Heterodimer Complex To Be Published.
Page generated: Wed Dec 16 01:37:43 2020

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