Zinc in PDB 5slf: Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z198195770
Protein crystallography data
The structure of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z198195770, PDB code: 5slf
was solved by
N.Imprachim,
Y.Yosaatmadja,
F.Von-Delft,
C.Bountra,
O.Gileadi,
J.A.Newman,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
69.17 /
2.01
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
67.606,
67.764,
138.339,
90,
90,
90
|
R / Rfree (%)
|
20.2 /
24.5
|
Zinc Binding Sites:
The binding sites of Zinc atom in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z198195770
(pdb code 5slf). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the
Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z198195770, PDB code: 5slf:
Jump to Zinc binding site number:
1;
2;
3;
Zinc binding site 1 out
of 3 in 5slf
Go back to
Zinc Binding Sites List in 5slf
Zinc binding site 1 out
of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z198195770
 Mono view
 Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z198195770 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn601
b:31.6
occ:1.00
|
ND1
|
D:HIS264
|
1.9
|
29.4
|
1.0
|
NE2
|
D:HIS257
|
2.0
|
41.2
|
1.0
|
SG
|
D:CYS279
|
2.3
|
28.1
|
1.0
|
SG
|
D:CYS261
|
2.4
|
37.4
|
1.0
|
CE1
|
D:HIS264
|
2.7
|
30.9
|
1.0
|
CG
|
D:HIS264
|
3.0
|
32.9
|
1.0
|
CD2
|
D:HIS257
|
3.0
|
39.2
|
1.0
|
CE1
|
D:HIS257
|
3.0
|
39.5
|
1.0
|
CB
|
D:CYS279
|
3.1
|
29.2
|
1.0
|
CB
|
D:CYS261
|
3.1
|
37.5
|
1.0
|
CB
|
D:HIS264
|
3.5
|
40.4
|
1.0
|
NE2
|
D:HIS264
|
3.9
|
31.2
|
1.0
|
CD2
|
D:HIS264
|
4.0
|
30.5
|
1.0
|
ND1
|
D:HIS257
|
4.1
|
41.1
|
1.0
|
CG
|
D:HIS257
|
4.1
|
39.8
|
1.0
|
N
|
D:HIS264
|
4.4
|
42.5
|
1.0
|
CA
|
D:CYS261
|
4.5
|
39.7
|
1.0
|
CA
|
D:CYS279
|
4.6
|
29.1
|
1.0
|
CA
|
D:HIS264
|
4.6
|
43.6
|
1.0
|
N
|
D:ASP415
|
4.6
|
32.0
|
1.0
|
O
|
D:HOH778
|
4.9
|
41.3
|
1.0
|
C
|
D:CYS261
|
5.0
|
40.3
|
1.0
|
CA
|
D:CYS414
|
5.0
|
34.7
|
0.6
|
|
Zinc binding site 2 out
of 3 in 5slf
Go back to
Zinc Binding Sites List in 5slf
Zinc binding site 2 out
of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z198195770
 Mono view
 Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z198195770 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn602
b:37.9
occ:1.00
|
ND1
|
D:HIS487
|
2.2
|
37.4
|
1.0
|
SG
|
D:CYS484
|
2.2
|
39.5
|
1.0
|
SG
|
D:CYS452
|
2.3
|
44.3
|
1.0
|
SG
|
D:CYS477
|
2.4
|
35.8
|
1.0
|
CG
|
D:HIS487
|
3.1
|
33.6
|
1.0
|
CB
|
D:CYS452
|
3.1
|
48.1
|
1.0
|
CB
|
D:CYS477
|
3.1
|
39.3
|
1.0
|
CE1
|
D:HIS487
|
3.2
|
36.5
|
1.0
|
CB
|
D:CYS484
|
3.3
|
36.7
|
1.0
|
CB
|
D:HIS487
|
3.4
|
33.6
|
1.0
|
CA
|
D:CYS452
|
3.7
|
52.6
|
1.0
|
N
|
D:CYS484
|
4.0
|
33.5
|
1.0
|
CA
|
D:CYS484
|
4.2
|
35.6
|
1.0
|
CD2
|
D:HIS487
|
4.3
|
35.5
|
1.0
|
NE2
|
D:HIS487
|
4.3
|
34.3
|
1.0
|
CA
|
D:CYS477
|
4.4
|
37.3
|
1.0
|
N
|
D:CYS452
|
4.4
|
49.9
|
1.0
|
N
|
D:CYS477
|
4.4
|
37.1
|
1.0
|
N
|
D:HIS487
|
4.5
|
39.6
|
1.0
|
CA
|
D:HIS487
|
4.5
|
37.9
|
1.0
|
CB
|
D:THR475
|
4.7
|
36.7
|
1.0
|
O
|
D:CYS484
|
4.8
|
42.2
|
1.0
|
C
|
D:CYS484
|
4.8
|
41.4
|
1.0
|
OG1
|
D:THR475
|
4.8
|
34.2
|
1.0
|
O
|
D:HOH806
|
5.0
|
36.0
|
1.0
|
|
Zinc binding site 3 out
of 3 in 5slf
Go back to
Zinc Binding Sites List in 5slf
Zinc binding site 3 out
of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z198195770
 Mono view
 Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z198195770 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn603
b:42.1
occ:1.00
|
ND1
|
D:HIS229
|
1.8
|
41.4
|
1.0
|
SG
|
D:CYS210
|
2.3
|
44.0
|
1.0
|
SG
|
D:CYS207
|
2.3
|
44.5
|
1.0
|
SG
|
D:CYS226
|
2.5
|
41.4
|
1.0
|
CE1
|
D:HIS229
|
2.6
|
42.4
|
1.0
|
CB
|
D:CYS207
|
2.9
|
40.6
|
1.0
|
CG
|
D:HIS229
|
3.0
|
37.6
|
1.0
|
CB
|
D:CYS210
|
3.5
|
44.8
|
1.0
|
CB
|
D:HIS229
|
3.5
|
37.3
|
1.0
|
CB
|
D:CYS226
|
3.6
|
39.9
|
1.0
|
N
|
D:CYS210
|
3.8
|
43.4
|
1.0
|
NE2
|
D:HIS229
|
3.8
|
40.6
|
1.0
|
N
|
D:CYS226
|
4.0
|
38.1
|
1.0
|
CD2
|
D:HIS229
|
4.0
|
37.5
|
1.0
|
NH1
|
D:ARG212
|
4.1
|
47.0
|
1.0
|
CA
|
D:CYS210
|
4.1
|
42.5
|
1.0
|
CA
|
D:CYS226
|
4.4
|
36.2
|
1.0
|
CA
|
D:CYS207
|
4.4
|
45.8
|
1.0
|
C
|
D:LEU209
|
4.4
|
45.6
|
1.0
|
N
|
D:HIS229
|
4.6
|
38.4
|
1.0
|
CB
|
D:ARG212
|
4.6
|
48.1
|
1.0
|
CB
|
D:LEU209
|
4.6
|
47.7
|
1.0
|
C
|
D:CYS210
|
4.7
|
42.4
|
1.0
|
CA
|
D:HIS229
|
4.7
|
36.0
|
1.0
|
CB
|
D:HIS228
|
4.7
|
37.1
|
1.0
|
CD
|
D:ARG212
|
4.8
|
42.4
|
1.0
|
N
|
D:LEU209
|
4.8
|
49.2
|
1.0
|
CA
|
D:LEU209
|
4.9
|
47.1
|
1.0
|
O
|
D:CYS210
|
4.9
|
49.0
|
1.0
|
CG
|
D:ARG212
|
4.9
|
43.6
|
1.0
|
C
|
D:CYS226
|
5.0
|
34.5
|
1.0
|
|
Reference:
N.Imprachim,
Y.Yosaatmadja,
F.Von-Delft,
C.Bountra,
O.Gileadi,
J.A.Newman.
Pandda Analysis Group Deposition To Be Published.
Page generated: Mon Oct 28 07:48:56 2024
|