Atomistry » Cadmium » PDB 6w8a-7kgq » 7kgq
Atomistry »
  Cadmium »
    PDB 6w8a-7kgq »
      7kgq »

Cadmium in PDB 7kgq: Crystal Structure of Hla-A*0201IN Complex with Sars-Cov-2 N222-230

Protein crystallography data

The structure of Crystal Structure of Hla-A*0201IN Complex with Sars-Cov-2 N222-230, PDB code: 7kgq was solved by C.Szeto, D.S.M.Chatzileontiadou, A.Riboldi-Tunnicliffe, S.Gras, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.60 / 1.34
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 60.157, 79.714, 111.471, 90, 90, 90
R / Rfree (%) 17.9 / 19.8

Other elements in 7kgq:

The structure of Crystal Structure of Hla-A*0201IN Complex with Sars-Cov-2 N222-230 also contains other interesting chemical elements:

Calcium (Ca) 2 atoms

Cadmium Binding Sites:

The binding sites of Cadmium atom in the Crystal Structure of Hla-A*0201IN Complex with Sars-Cov-2 N222-230 (pdb code 7kgq). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 2 binding sites of Cadmium where determined in the Crystal Structure of Hla-A*0201IN Complex with Sars-Cov-2 N222-230, PDB code: 7kgq:
Jump to Cadmium binding site number: 1; 2;

Cadmium binding site 1 out of 2 in 7kgq

Go back to Cadmium Binding Sites List in 7kgq
Cadmium binding site 1 out of 2 in the Crystal Structure of Hla-A*0201IN Complex with Sars-Cov-2 N222-230


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Crystal Structure of Hla-A*0201IN Complex with Sars-Cov-2 N222-230 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd301

b:14.1
occ:1.00
O A:HOH688 2.2 16.0 1.0
ND1 A:HIS191 2.3 14.3 1.0
O A:HIS191 2.4 12.8 1.0
CE1 A:HIS191 3.2 14.7 1.0
C A:HIS191 3.2 13.3 1.0
CG A:HIS191 3.3 13.1 1.0
CB A:HIS191 3.6 12.9 1.0
CA A:HIS191 4.0 12.2 1.0
N A:HIS192 4.0 12.4 1.0
CA A:HIS192 4.2 12.6 1.0
O A:HOH654 4.4 17.6 1.0
NE2 A:HIS191 4.4 15.0 1.0
CD2 A:HIS191 4.5 14.6 1.0
N A:ALA193 4.5 13.6 1.0
N A:HIS191 4.6 12.7 1.0
C A:HIS192 4.9 14.0 1.0

Cadmium binding site 2 out of 2 in 7kgq

Go back to Cadmium Binding Sites List in 7kgq
Cadmium binding site 2 out of 2 in the Crystal Structure of Hla-A*0201IN Complex with Sars-Cov-2 N222-230


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Crystal Structure of Hla-A*0201IN Complex with Sars-Cov-2 N222-230 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd302

b:29.4
occ:1.00
O A:HOH466 2.2 28.2 1.0
NE2 A:HIS197 2.2 21.1 1.0
CA A:CA303 2.3 58.8 1.0
OE2 A:GLU198 2.4 24.6 1.0
CD2 A:HIS197 3.2 21.0 1.0
CD A:GLU198 3.2 30.1 1.0
CE1 A:HIS197 3.3 21.1 1.0
OE1 A:GLU198 3.4 23.5 1.0
CG A:HIS197 4.3 20.1 1.0
ND1 A:HIS197 4.4 21.6 1.0
O A:HOH793 4.5 44.1 1.0
CG A:GLU198 4.6 21.7 1.0

Reference:

C.Szeto, D.S.M.Chatzileontiadou, A.T.Nguyen, H.Sloane, C.A.Lobos, D.Jayasinghe, H.Halim, C.Smith, A.Riboldi-Tunnicliffe, E.J.Grant, S.Gras. The Presentation of Sars-Cov-2 Peptides By the Common Hla-A*02:01 Molecule To Be Published.
Page generated: Sun Jan 24 09:57:35 2021

Last articles

Zn in 7RE3
Zn in 7RDX
Zn in 7RDZ
Zn in 7RWM
Zn in 7PGU
Zn in 7PGR
Zn in 7PGT
Zn in 7PGS
Zn in 7SQE
Zn in 7RWK
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy