Zinc in PDB 7qif: Crystal Structure of Sars-Cov-2 NSP14 in Complex with 7MEGPPPG.
Protein crystallography data
The structure of Crystal Structure of Sars-Cov-2 NSP14 in Complex with 7MEGPPPG., PDB code: 7qif
was solved by
J.A.Newman,
N.Imprachim,
Y.Yosaatmadja,
O.Gileadi,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
69.29 /
2.53
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
67.336,
67.314,
138.585,
90,
90,
90
|
R / Rfree (%)
|
20.7 /
24.7
|
Zinc Binding Sites:
The binding sites of Zinc atom in the Crystal Structure of Sars-Cov-2 NSP14 in Complex with 7MEGPPPG.
(pdb code 7qif). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the
Crystal Structure of Sars-Cov-2 NSP14 in Complex with 7MEGPPPG., PDB code: 7qif:
Jump to Zinc binding site number:
1;
2;
3;
Zinc binding site 1 out
of 3 in 7qif
Go back to
Zinc Binding Sites List in 7qif
Zinc binding site 1 out
of 3 in the Crystal Structure of Sars-Cov-2 NSP14 in Complex with 7MEGPPPG.
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of Crystal Structure of Sars-Cov-2 NSP14 in Complex with 7MEGPPPG. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn602
b:10.9
occ:1.00
|
ND1
|
D:HIS264
|
2.1
|
6.5
|
1.0
|
NE2
|
D:HIS257
|
2.1
|
10.6
|
1.0
|
SG
|
D:CYS261
|
2.2
|
19.4
|
1.0
|
SG
|
D:CYS279
|
2.4
|
4.1
|
1.0
|
CE1
|
D:HIS257
|
2.9
|
11.9
|
1.0
|
CB
|
D:CYS261
|
3.0
|
15.2
|
1.0
|
CG
|
D:HIS264
|
3.0
|
8.9
|
1.0
|
CE1
|
D:HIS264
|
3.0
|
15.5
|
1.0
|
CD2
|
D:HIS257
|
3.2
|
14.4
|
1.0
|
CB
|
D:HIS264
|
3.3
|
16.4
|
1.0
|
CB
|
D:CYS279
|
3.3
|
8.4
|
1.0
|
N
|
D:HIS264
|
4.0
|
21.1
|
1.0
|
CD2
|
D:HIS264
|
4.1
|
12.4
|
1.0
|
NE2
|
D:HIS264
|
4.1
|
15.9
|
1.0
|
ND1
|
D:HIS257
|
4.1
|
16.6
|
1.0
|
CG
|
D:HIS257
|
4.2
|
18.8
|
1.0
|
CA
|
D:HIS264
|
4.3
|
18.3
|
1.0
|
CA
|
D:CYS261
|
4.4
|
17.0
|
1.0
|
N
|
D:ASP415
|
4.5
|
19.3
|
1.0
|
CA
|
D:CYS279
|
4.8
|
6.7
|
1.0
|
C
|
D:CYS261
|
4.8
|
25.5
|
1.0
|
SG
|
D:CYS414
|
4.9
|
18.0
|
0.7
|
O
|
D:HIS264
|
4.9
|
28.1
|
1.0
|
CA
|
D:CYS414
|
5.0
|
14.8
|
0.7
|
CA
|
D:CYS414
|
5.0
|
15.0
|
0.3
|
|
Zinc binding site 2 out
of 3 in 7qif
Go back to
Zinc Binding Sites List in 7qif
Zinc binding site 2 out
of 3 in the Crystal Structure of Sars-Cov-2 NSP14 in Complex with 7MEGPPPG.
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of Crystal Structure of Sars-Cov-2 NSP14 in Complex with 7MEGPPPG. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn603
b:21.8
occ:1.00
|
SG
|
D:CYS452
|
2.1
|
10.8
|
1.0
|
ND1
|
D:HIS487
|
2.2
|
12.8
|
1.0
|
SG
|
D:CYS484
|
2.3
|
20.2
|
1.0
|
SG
|
D:CYS477
|
2.4
|
17.0
|
1.0
|
CG
|
D:HIS487
|
3.1
|
15.1
|
1.0
|
CB
|
D:CYS477
|
3.1
|
17.7
|
1.0
|
CB
|
D:CYS484
|
3.1
|
16.9
|
1.0
|
CB
|
D:CYS452
|
3.2
|
25.2
|
1.0
|
CB
|
D:HIS487
|
3.3
|
18.3
|
1.0
|
CE1
|
D:HIS487
|
3.3
|
22.0
|
1.0
|
N
|
D:CYS484
|
3.6
|
13.1
|
1.0
|
CA
|
D:CYS452
|
3.8
|
27.8
|
1.0
|
CA
|
D:CYS484
|
3.9
|
14.8
|
1.0
|
N
|
D:HIS487
|
4.2
|
19.3
|
1.0
|
CD2
|
D:HIS487
|
4.3
|
12.3
|
1.0
|
NE2
|
D:HIS487
|
4.3
|
17.2
|
1.0
|
N
|
D:CYS477
|
4.3
|
20.9
|
1.0
|
CA
|
D:CYS477
|
4.4
|
16.9
|
1.0
|
CA
|
D:HIS487
|
4.4
|
18.1
|
1.0
|
OG1
|
D:THR475
|
4.6
|
13.1
|
1.0
|
C
|
D:CYS484
|
4.6
|
22.9
|
1.0
|
CB
|
D:THR475
|
4.6
|
14.3
|
1.0
|
O
|
D:CYS484
|
4.7
|
30.9
|
1.0
|
C
|
D:CYS452
|
4.8
|
29.4
|
1.0
|
C
|
D:VAL483
|
4.8
|
15.5
|
1.0
|
N
|
D:CYS452
|
4.9
|
32.9
|
1.0
|
|
Zinc binding site 3 out
of 3 in 7qif
Go back to
Zinc Binding Sites List in 7qif
Zinc binding site 3 out
of 3 in the Crystal Structure of Sars-Cov-2 NSP14 in Complex with 7MEGPPPG.
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of Crystal Structure of Sars-Cov-2 NSP14 in Complex with 7MEGPPPG. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn604
b:28.2
occ:1.00
|
ND1
|
D:HIS229
|
2.1
|
20.7
|
1.0
|
SG
|
D:CYS207
|
2.3
|
28.4
|
1.0
|
SG
|
D:CYS226
|
2.4
|
32.3
|
1.0
|
SG
|
D:CYS210
|
2.4
|
29.7
|
1.0
|
CE1
|
D:HIS229
|
2.7
|
22.1
|
1.0
|
CB
|
D:CYS207
|
3.0
|
20.9
|
1.0
|
CG
|
D:HIS229
|
3.3
|
19.8
|
1.0
|
CB
|
D:CYS210
|
3.6
|
27.4
|
1.0
|
CB
|
D:CYS226
|
3.6
|
22.3
|
1.0
|
N
|
D:CYS210
|
3.9
|
29.3
|
1.0
|
N
|
D:CYS226
|
3.9
|
26.1
|
1.0
|
NE2
|
D:HIS229
|
3.9
|
14.6
|
1.0
|
CB
|
D:HIS229
|
3.9
|
18.1
|
1.0
|
CD2
|
D:HIS229
|
4.3
|
16.6
|
1.0
|
CA
|
D:CYS210
|
4.3
|
25.5
|
1.0
|
NH1
|
D:ARG212
|
4.3
|
31.0
|
1.0
|
CA
|
D:CYS226
|
4.4
|
16.6
|
1.0
|
C
|
D:LEU209
|
4.4
|
21.8
|
1.0
|
CA
|
D:CYS207
|
4.5
|
30.6
|
1.0
|
N
|
D:HIS229
|
4.5
|
19.8
|
1.0
|
CB
|
D:LEU209
|
4.6
|
28.7
|
1.0
|
N
|
D:LEU209
|
4.7
|
28.3
|
1.0
|
CB
|
D:HIS228
|
4.8
|
20.1
|
1.0
|
CA
|
D:LEU209
|
4.8
|
22.6
|
1.0
|
CB
|
D:ARG212
|
4.8
|
26.3
|
1.0
|
C
|
D:CYS210
|
4.9
|
26.4
|
1.0
|
CA
|
D:HIS229
|
4.9
|
19.8
|
1.0
|
CD
|
D:ARG212
|
5.0
|
30.9
|
1.0
|
C
|
D:CYS226
|
5.0
|
21.4
|
1.0
|
|
Reference:
J.A.Newman,
N.Imprachim,
Y.Yosaatmadja,
O.Gileadi.
Crystal Structure of Sars-Cov-2 NSP14 in Complex with 7MEGPPPG. To Be Published.
Page generated: Wed Oct 30 09:55:01 2024
|