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Chlorine in PDB 8rhq: Crystal Structure of Hla-A*11:01 in Complex with Svlndifsrl, An 10-Mer Epitope From Sars-Cov-2 Spike (S975-984)

Protein crystallography data

The structure of Crystal Structure of Hla-A*11:01 in Complex with Svlndifsrl, An 10-Mer Epitope From Sars-Cov-2 Spike (S975-984), PDB code: 8rhq was solved by Y.M.Ahn, J.C.Maddumage, C.Szeto, S.Gras, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.75 / 2.00
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 85.492, 85.492, 312.028, 90, 90, 120
R / Rfree (%) 19.8 / 24.4

Other elements in 8rhq:

The structure of Crystal Structure of Hla-A*11:01 in Complex with Svlndifsrl, An 10-Mer Epitope From Sars-Cov-2 Spike (S975-984) also contains other interesting chemical elements:

Sodium (Na) 3 atoms
Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Hla-A*11:01 in Complex with Svlndifsrl, An 10-Mer Epitope From Sars-Cov-2 Spike (S975-984) (pdb code 8rhq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Hla-A*11:01 in Complex with Svlndifsrl, An 10-Mer Epitope From Sars-Cov-2 Spike (S975-984), PDB code: 8rhq:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 8rhq

Go back to Chlorine Binding Sites List in 8rhq
Chlorine binding site 1 out of 3 in the Crystal Structure of Hla-A*11:01 in Complex with Svlndifsrl, An 10-Mer Epitope From Sars-Cov-2 Spike (S975-984)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Hla-A*11:01 in Complex with Svlndifsrl, An 10-Mer Epitope From Sars-Cov-2 Spike (S975-984) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl406

b:32.6
occ:1.00
OE1 C:GLN96 2.8 11.3 1.0
N C:GLY120 2.9 12.8 1.0
N C:ASP119 3.1 19.4 1.0
O C:THR94 3.1 16.8 1.0
O C:ALA117 3.3 12.6 1.0
C C:TYR118 3.5 17.8 1.0
C C:ALA117 3.5 16.0 1.0
CG2 C:THR94 3.6 16.5 1.0
CA C:TYR118 3.7 13.0 1.0
C C:THR94 3.7 17.1 1.0
CA C:GLY120 3.7 19.3 1.0
CA C:ASP119 3.7 16.0 1.0
N C:TYR118 3.7 12.2 1.0
CB C:THR94 3.7 15.1 1.0
CD C:GLN96 3.7 11.6 1.0
CB C:ALA117 3.8 14.0 1.0
C C:ASP119 3.8 18.1 1.0
NE2 D:HIS31 3.8 22.3 1.0
CE1 D:HIS31 3.9 13.4 1.0
CG C:GLN96 4.0 13.6 1.0
N C:GLN96 4.0 11.5 1.0
CB C:GLN96 4.2 11.0 1.0
O C:TYR118 4.3 11.0 1.0
CA C:ALA117 4.3 12.0 1.0
N C:ILE95 4.3 14.2 1.0
CA C:ILE95 4.3 12.8 1.0
CA C:THR94 4.3 10.9 1.0
C C:ILE95 4.4 10.0 1.0
C C:GLY120 4.6 23.2 1.0
N C:LYS121 4.7 14.4 1.0
CA C:GLN96 4.7 11.4 1.0
OG1 C:THR94 4.9 19.4 1.0
O C:ASP119 4.9 20.2 1.0
NE2 C:GLN96 5.0 12.2 1.0

Chlorine binding site 2 out of 3 in 8rhq

Go back to Chlorine Binding Sites List in 8rhq
Chlorine binding site 2 out of 3 in the Crystal Structure of Hla-A*11:01 in Complex with Svlndifsrl, An 10-Mer Epitope From Sars-Cov-2 Spike (S975-984)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Hla-A*11:01 in Complex with Svlndifsrl, An 10-Mer Epitope From Sars-Cov-2 Spike (S975-984) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl402

b:31.5
occ:1.00
OE1 E:GLN96 2.8 18.7 1.0
N E:GLY120 2.9 19.1 1.0
O E:THR94 3.0 17.3 1.0
O E:ALA117 3.1 13.1 1.0
N E:ASP119 3.1 15.2 1.0
C E:ALA117 3.4 19.5 1.0
C E:TYR118 3.5 16.5 1.0
C E:THR94 3.5 17.6 1.0
CA E:TYR118 3.7 13.9 1.0
CG2 E:THR94 3.7 16.6 1.0
CA E:GLY120 3.7 16.7 1.0
N E:TYR118 3.7 15.9 1.0
CB E:ALA117 3.7 10.4 1.0
CB E:THR94 3.7 16.5 1.0
CD E:GLN96 3.7 19.9 1.0
CA E:ASP119 3.8 20.2 1.0
C E:ASP119 3.8 21.3 1.0
N E:GLN96 3.8 9.7 1.0
CG E:GLN96 3.9 15.1 1.0
NE2 F:HIS31 4.0 26.4 1.0
CA E:ILE95 4.1 11.5 1.0
N E:ILE95 4.1 15.7 1.0
CB E:GLN96 4.2 12.0 1.0
CA E:ALA117 4.2 14.3 1.0
CE1 F:HIS31 4.2 20.9 1.0
C E:ILE95 4.2 10.9 1.0
O E:TYR118 4.3 12.6 1.0
CA E:THR94 4.3 20.5 1.0
CA E:GLN96 4.6 13.9 1.0
C E:GLY120 4.6 19.7 1.0
N E:LYS121 4.7 19.8 1.0
O E:ASP119 5.0 21.2 1.0
OG1 E:THR94 5.0 20.5 1.0
NE2 E:GLN96 5.0 17.3 1.0

Chlorine binding site 3 out of 3 in 8rhq

Go back to Chlorine Binding Sites List in 8rhq
Chlorine binding site 3 out of 3 in the Crystal Structure of Hla-A*11:01 in Complex with Svlndifsrl, An 10-Mer Epitope From Sars-Cov-2 Spike (S975-984)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Hla-A*11:01 in Complex with Svlndifsrl, An 10-Mer Epitope From Sars-Cov-2 Spike (S975-984) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl403

b:32.1
occ:1.00
O E:HOH537 2.7 29.1 1.0
O E:TRP147 2.8 19.1 1.0
NE1 E:TRP133 2.9 17.6 1.0
N E:ALA153 2.9 13.2 1.0
CB E:ALA153 3.3 21.5 1.0
N E:ALA152 3.3 21.6 1.0
C E:TRP147 3.5 18.9 1.0
CA E:GLU148 3.6 23.2 1.0
CA E:ALA153 3.7 16.2 1.0
CD1 E:TRP133 3.7 18.0 1.0
N E:GLU148 3.8 23.4 1.0
C E:HIS151 3.9 22.7 1.0
C E:ALA152 3.9 17.9 1.0
CA E:HIS151 3.9 24.1 1.0
CE2 E:TRP133 4.0 18.1 1.0
CA E:ALA152 4.0 18.2 1.0
OE1 E:GLU154 4.2 30.7 1.0
CB E:ALA152 4.2 14.3 1.0
O E:GLU148 4.3 23.6 1.0
C E:GLU148 4.4 20.8 1.0
CZ2 E:TRP133 4.4 11.4 1.0
N E:HIS151 4.4 19.8 1.0
O E:HOH515 4.4 26.8 1.0
CB E:TRP147 4.6 14.9 1.0
CA E:TRP147 4.6 16.4 1.0
CG E:GLU148 4.6 20.9 1.0
CB E:GLU148 4.7 25.0 1.0
O E:HOH504 4.7 23.7 1.0
O E:HIS151 4.7 19.3 1.0
C E:ALA153 4.8 19.8 1.0
N E:GLU154 4.8 17.8 1.0
CG E:TRP133 5.0 15.3 1.0

Reference:

Y.M.Ahn, J.C.Maddumage, E.J.Grant, D.S.Chatzileontiadou, W.G.Perera, B.M.Baker, C.Szeto, S.Gras. The Impact of Sars-Cov-2 Spike Mutation on Peptide Presentation Is Hla Allomorph-Specific Curr Res Struct Biol 2024.
ISSN: ESSN 2665-928X
DOI: 10.1016/J.CRSTBI.2024.100148
Page generated: Sun Jul 13 13:56:00 2025

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