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:
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: Tue Jul 30 12:14:21 2024
|