Atomistry » Nickel » PDB 3qsi-3tsn » 3qsi
Atomistry »
  Nickel »
    PDB 3qsi-3tsn »
      3qsi »

Nickel in PDB 3qsi: Nickel Binding Domain of Nikr From Helicobacter Pylori Disclosing Partial Metal Occupancy

Protein crystallography data

The structure of Nickel Binding Domain of Nikr From Helicobacter Pylori Disclosing Partial Metal Occupancy, PDB code: 3qsi was solved by J.M.Gonzalez, E.Pozharski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 103.50 / 3.08
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 147.379, 79.400, 122.423, 90.00, 122.28, 90.00
R / Rfree (%) 25.7 / 30.4

Nickel Binding Sites:

The binding sites of Nickel atom in the Nickel Binding Domain of Nikr From Helicobacter Pylori Disclosing Partial Metal Occupancy (pdb code 3qsi). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 9 binding sites of Nickel where determined in the Nickel Binding Domain of Nikr From Helicobacter Pylori Disclosing Partial Metal Occupancy, PDB code: 3qsi:
Jump to Nickel binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Nickel binding site 1 out of 9 in 3qsi

Go back to Nickel Binding Sites List in 3qsi
Nickel binding site 1 out of 9 in the Nickel Binding Domain of Nikr From Helicobacter Pylori Disclosing Partial Metal Occupancy


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Nickel Binding Domain of Nikr From Helicobacter Pylori Disclosing Partial Metal Occupancy within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ni5

b:63.1
occ:1.00
NE2 B:HIS74 2.0 76.3 1.0
NE2 A:HIS88 2.1 70.8 1.0
NE2 B:HIS101 2.1 81.6 1.0
CE1 B:HIS101 2.9 81.1 1.0
CE1 B:HIS74 3.0 75.6 1.0
CD2 A:HIS88 3.0 67.2 1.0
CD2 B:HIS74 3.1 74.7 1.0
CE1 A:HIS88 3.1 68.2 1.0
CD2 B:HIS101 3.3 81.2 1.0
ND1 B:HIS101 4.1 80.5 1.0
ND1 B:HIS74 4.1 75.0 1.0
CG B:HIS74 4.2 74.0 1.0
CG A:HIS88 4.2 64.0 1.0
ND1 A:HIS88 4.2 65.9 1.0
CG B:HIS101 4.3 79.6 1.0
CG2 A:ILE84 4.9 49.7 1.0

Nickel binding site 2 out of 9 in 3qsi

Go back to Nickel Binding Sites List in 3qsi
Nickel binding site 2 out of 9 in the Nickel Binding Domain of Nikr From Helicobacter Pylori Disclosing Partial Metal Occupancy


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Nickel Binding Domain of Nikr From Helicobacter Pylori Disclosing Partial Metal Occupancy within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ni4

b:42.8
occ:1.00
NE2 C:HIS99 2.0 47.6 1.0
NE2 D:HIS88 2.0 52.5 1.0
ND1 C:HIS101 2.1 53.4 1.0
SG C:CYS107 2.3 51.1 1.0
CD2 C:HIS99 3.0 45.2 1.0
CE1 D:HIS88 3.0 52.1 1.0
CE1 C:HIS99 3.0 45.5 1.0
CG C:HIS101 3.0 52.4 1.0
CD2 D:HIS88 3.0 50.7 1.0
CE1 C:HIS101 3.1 52.0 1.0
CB C:HIS101 3.3 52.9 1.0
CA C:HIS101 3.3 52.0 1.0
CB C:CYS107 3.4 50.9 1.0
CG2 D:ILE84 3.4 48.5 1.0
N C:HIS101 3.9 51.1 1.0
ND1 C:HIS99 4.1 45.6 1.0
ND1 D:HIS88 4.1 51.7 1.0
CA C:CYS107 4.1 51.2 1.0
CG C:HIS99 4.1 44.9 1.0
O C:ILE100 4.1 49.0 1.0
CG D:HIS88 4.2 51.4 1.0
CD2 C:HIS101 4.2 52.2 1.0
NE2 C:HIS101 4.2 52.0 1.0
C C:ILE100 4.3 48.6 1.0
C C:HIS101 4.6 54.2 1.0
O C:ASN106 4.7 57.2 1.0
CB D:ILE84 4.8 48.5 1.0
N C:CYS107 4.9 53.1 1.0
CG1 D:ILE84 5.0 47.8 1.0
N C:MET102 5.0 56.2 1.0

Nickel binding site 3 out of 9 in 3qsi

Go back to Nickel Binding Sites List in 3qsi
Nickel binding site 3 out of 9 in the Nickel Binding Domain of Nikr From Helicobacter Pylori Disclosing Partial Metal Occupancy


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 3 of Nickel Binding Domain of Nikr From Helicobacter Pylori Disclosing Partial Metal Occupancy within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ni7

b:68.8
occ:1.00
NE2 D:HIS101 2.0 83.9 1.0
NE2 C:HIS88 2.1 74.1 1.0
NE2 D:HIS74 2.1 78.6 1.0
CE1 D:HIS101 2.9 83.2 1.0
CD2 C:HIS88 2.9 69.7 1.0
CE1 D:HIS74 3.0 77.3 1.0
CE1 C:HIS88 3.1 71.1 1.0
CD2 D:HIS101 3.2 83.0 1.0
CD2 D:HIS74 3.2 76.3 1.0
ND1 D:HIS101 4.1 82.7 1.0
CG C:HIS88 4.1 66.1 1.0
ND1 D:HIS74 4.1 76.0 1.0
ND1 C:HIS88 4.1 68.3 1.0
CG D:HIS101 4.2 81.4 1.0
CG D:HIS74 4.3 75.1 1.0

Nickel binding site 4 out of 9 in 3qsi

Go back to Nickel Binding Sites List in 3qsi
Nickel binding site 4 out of 9 in the Nickel Binding Domain of Nikr From Helicobacter Pylori Disclosing Partial Metal Occupancy


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 4 of Nickel Binding Domain of Nikr From Helicobacter Pylori Disclosing Partial Metal Occupancy within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ni3

b:43.6
occ:1.00
NE2 A:HIS99 2.0 45.8 1.0
NE2 B:HIS88 2.0 55.2 1.0
ND1 A:HIS101 2.1 50.6 1.0
SG A:CYS107 2.3 48.9 1.0
CE1 A:HIS99 2.9 43.8 1.0
CD2 B:HIS88 2.9 53.5 1.0
CE1 A:HIS101 3.0 49.4 1.0
CD2 A:HIS99 3.0 44.0 1.0
CE1 B:HIS88 3.1 55.1 1.0
CG A:HIS101 3.1 49.7 1.0
CG2 B:ILE84 3.2 49.3 1.0
CB A:CYS107 3.5 49.2 1.0
CB A:HIS101 3.5 50.2 1.0
CA A:HIS101 3.6 49.9 1.0
ND1 A:HIS99 4.0 44.5 1.0
CG B:HIS88 4.1 54.7 1.0
NE2 A:HIS101 4.1 49.5 1.0
CG A:HIS99 4.1 43.8 1.0
ND1 B:HIS88 4.1 55.3 1.0
CD2 A:HIS101 4.2 49.6 1.0
N A:HIS101 4.2 49.2 1.0
CA A:CYS107 4.3 49.4 1.0
O A:ILE100 4.4 47.1 1.0
CB B:ILE84 4.5 49.0 1.0
C A:ILE100 4.6 47.0 1.0
CG1 B:ILE84 4.8 48.0 1.0
O A:ASN106 4.9 54.0 1.0
C A:HIS101 4.9 51.8 1.0

Nickel binding site 5 out of 9 in 3qsi

Go back to Nickel Binding Sites List in 3qsi
Nickel binding site 5 out of 9 in the Nickel Binding Domain of Nikr From Helicobacter Pylori Disclosing Partial Metal Occupancy


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 5 of Nickel Binding Domain of Nikr From Helicobacter Pylori Disclosing Partial Metal Occupancy within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Ni6

b:64.7
occ:1.00
NE2 F:HIS101 2.0 80.6 1.0
NE2 E:HIS88 2.0 69.7 1.0
NE2 F:HIS74 2.1 76.2 1.0
CE1 F:HIS74 2.8 75.4 1.0
CD2 E:HIS88 2.8 65.9 1.0
CE1 F:HIS101 3.0 80.1 1.0
CD2 F:HIS101 3.0 80.3 1.0
CE1 E:HIS88 3.1 67.0 1.0
CD2 F:HIS74 3.3 74.2 1.0
ND1 F:HIS74 4.0 74.8 1.0
CG E:HIS88 4.0 62.5 1.0
ND1 F:HIS101 4.1 79.7 1.0
CG F:HIS101 4.1 78.7 1.0
ND1 E:HIS88 4.1 64.5 1.0
CG F:HIS74 4.3 73.8 1.0

Nickel binding site 6 out of 9 in 3qsi

Go back to Nickel Binding Sites List in 3qsi
Nickel binding site 6 out of 9 in the Nickel Binding Domain of Nikr From Helicobacter Pylori Disclosing Partial Metal Occupancy


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 6 of Nickel Binding Domain of Nikr From Helicobacter Pylori Disclosing Partial Metal Occupancy within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Ni2

b:38.3
occ:1.00
NE2 G:HIS99 2.0 44.3 1.0
NE2 H:HIS88 2.0 57.4 1.0
ND1 G:HIS101 2.1 48.8 1.0
SG G:CYS107 2.3 52.4 1.0
CE1 G:HIS99 3.0 43.4 1.0
CE1 H:HIS88 3.0 57.5 1.0
CD2 G:HIS99 3.0 41.6 1.0
CD2 H:HIS88 3.1 55.1 1.0
CE1 G:HIS101 3.1 46.2 1.0
CG G:HIS101 3.1 47.8 1.0
CG2 H:ILE84 3.3 53.8 1.0
CB G:CYS107 3.4 52.3 1.0
CB G:HIS101 3.4 50.2 1.0
CA G:HIS101 3.4 50.9 1.0
O G:ILE100 4.0 47.7 1.0
N G:HIS101 4.0 48.5 1.0
ND1 G:HIS99 4.1 43.0 1.0
CA G:CYS107 4.1 54.1 1.0
ND1 H:HIS88 4.1 57.1 1.0
CG G:HIS99 4.2 41.0 1.0
CG H:HIS88 4.2 55.9 1.0
NE2 G:HIS101 4.2 45.6 1.0
CD2 G:HIS101 4.2 45.9 1.0
C G:ILE100 4.3 46.9 1.0
O G:ASN106 4.5 60.6 1.0
CB H:ILE84 4.6 54.0 1.0
C G:HIS101 4.7 54.9 1.0
CG1 H:ILE84 4.8 52.8 1.0
N G:CYS107 4.8 57.7 1.0
C G:ASN106 5.0 61.7 1.0

Nickel binding site 7 out of 9 in 3qsi

Go back to Nickel Binding Sites List in 3qsi
Nickel binding site 7 out of 9 in the Nickel Binding Domain of Nikr From Helicobacter Pylori Disclosing Partial Metal Occupancy


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 7 of Nickel Binding Domain of Nikr From Helicobacter Pylori Disclosing Partial Metal Occupancy within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Ni9

b:73.2
occ:1.00
NE2 H:HIS101 2.0 90.2 1.0
NE2 G:HIS88 2.0 72.2 1.0
NE2 H:HIS74 2.1 88.4 1.0
O4 G:SO41 2.6 63.7 0.5
CE1 H:HIS74 2.7 88.0 1.0
CD2 G:HIS88 2.7 68.2 1.0
CD2 H:HIS101 2.9 88.8 1.0
CE1 H:HIS101 3.1 88.1 1.0
CE1 G:HIS88 3.2 70.7 1.0
CD2 H:HIS74 3.3 85.5 1.0
O2 G:SO41 3.4 61.1 0.5
S G:SO41 3.5 61.6 0.5
ND1 H:HIS74 3.9 87.3 1.0
CG G:HIS88 4.0 66.3 1.0
O1 G:SO41 4.1 61.2 0.5
CG H:HIS101 4.1 85.6 1.0
ND1 G:HIS88 4.1 69.7 1.0
ND1 H:HIS101 4.1 86.3 1.0
CG H:HIS74 4.2 85.3 1.0
O3 G:SO41 4.7 60.9 0.5

Nickel binding site 8 out of 9 in 3qsi

Go back to Nickel Binding Sites List in 3qsi
Nickel binding site 8 out of 9 in the Nickel Binding Domain of Nikr From Helicobacter Pylori Disclosing Partial Metal Occupancy


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 8 of Nickel Binding Domain of Nikr From Helicobacter Pylori Disclosing Partial Metal Occupancy within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ni8

b:45.7
occ:1.00
NE2 E:HIS99 2.0 43.0 1.0
NE2 F:HIS88 2.1 51.4 1.0
ND1 E:HIS101 2.1 47.3 1.0
SG E:CYS107 2.3 46.3 1.0
CD2 E:HIS99 3.0 41.0 1.0
CE1 E:HIS99 3.0 41.4 1.0
CE1 F:HIS88 3.0 51.1 1.0
CG E:HIS101 3.0 46.1 1.0
CE1 E:HIS101 3.1 45.8 1.0
CD2 F:HIS88 3.1 49.4 1.0
CB E:HIS101 3.3 46.5 1.0
CB E:CYS107 3.3 47.5 1.0
CA E:HIS101 3.3 46.5 1.0
CG2 F:ILE84 3.4 46.4 1.0
N E:HIS101 3.9 46.0 1.0
ND1 E:HIS99 4.1 41.9 1.0
CG E:HIS99 4.1 41.0 1.0
ND1 F:HIS88 4.1 51.2 1.0
CD2 E:HIS101 4.1 45.8 1.0
CA E:CYS107 4.1 47.5 1.0
NE2 E:HIS101 4.1 45.3 1.0
CG F:HIS88 4.2 50.7 1.0
O E:ILE100 4.2 44.9 1.0
C E:ILE100 4.3 44.0 1.0
C E:HIS101 4.7 48.4 1.0
CB F:ILE84 4.8 46.3 1.0
O E:ASN106 4.8 51.7 1.0
N E:CYS107 4.9 49.3 1.0
CG1 F:ILE84 5.0 45.4 1.0

Nickel binding site 9 out of 9 in 3qsi

Go back to Nickel Binding Sites List in 3qsi
Nickel binding site 9 out of 9 in the Nickel Binding Domain of Nikr From Helicobacter Pylori Disclosing Partial Metal Occupancy


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 9 of Nickel Binding Domain of Nikr From Helicobacter Pylori Disclosing Partial Metal Occupancy within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Ni1

b:42.7
occ:1.00
NE2 I:HIS99 2.0 44.0 1.0
ND1 I:HIS101 2.2 48.6 1.0
SG I:CYS107 2.2 47.3 1.0
CE1 I:HIS99 2.9 41.8 1.0
CE1 I:HIS101 3.1 47.1 1.0
CD2 I:HIS99 3.1 41.6 1.0
CG I:HIS101 3.2 47.6 1.0
CB I:CYS107 3.4 47.5 1.0
CB I:HIS101 3.6 48.6 1.0
CA I:HIS101 3.7 48.3 1.0
ND1 I:HIS99 4.1 42.3 1.0
CA I:CYS107 4.1 47.9 1.0
CG I:HIS99 4.2 41.1 1.0
NE2 I:HIS101 4.2 47.3 1.0
O I:ILE100 4.2 45.0 1.0
N I:HIS101 4.3 47.0 1.0
CD2 I:HIS101 4.3 47.2 1.0
C I:ILE100 4.5 44.7 1.0
O I:ASN106 4.7 53.5 1.0
N I:CYS107 4.8 50.3 1.0
CB I:HIS74 4.9 62.2 1.0
ND1 I:HIS74 5.0 63.5 1.0
C I:HIS101 5.0 50.9 1.0

Reference:

A.L.West, S.E.Evans, J.M.Gonzalez, L.G.Carter, H.Tsuruta, E.Pozharski, S.L.Michel. Ni(II) Coordination to Mixed Sites Modulates Dna Binding of Hpnikr Via A Long-Range Effect. Proc.Natl.Acad.Sci.Usa V. 109 5633 2012.
ISSN: ISSN 0027-8424
PubMed: 22451934
DOI: 10.1073/PNAS.1120283109
Page generated: Wed Oct 9 17:45:45 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy