Sodium in PDB 7ult: Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer Apo-Form.
Protein crystallography data
The structure of Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer Apo-Form., PDB code: 7ult
was solved by
G.Minasov,
L.Shuvalova,
J.S.Brunzelle,
M.Rosas-Lemus,
O.Kiryukhina,
K.J.F.Satchell,
Center For Structural Genomics Of Infectious Diseases(Csgid),
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
29.90 /
1.90
|
Space group
|
P 32 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
166.681,
166.681,
98.55,
90,
90,
120
|
R / Rfree (%)
|
16.4 /
18.8
|
Other elements in 7ult:
The structure of Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer Apo-Form. also contains other interesting chemical elements:
Sodium Binding Sites:
The binding sites of Sodium atom in the Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer Apo-Form.
(pdb code 7ult). This binding sites where shown within
5.0 Angstroms radius around Sodium atom.
In total 8 binding sites of Sodium where determined in the
Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer Apo-Form., PDB code: 7ult:
Jump to Sodium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Sodium binding site 1 out
of 8 in 7ult
Go back to
Sodium Binding Sites List in 7ult
Sodium binding site 1 out
of 8 in the Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer Apo-Form.
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 1 of Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer Apo-Form. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na7101
b:37.7
occ:1.00
|
O
|
A:HOH7399
|
2.2
|
42.5
|
1.0
|
O
|
A:LEU6887
|
2.3
|
26.7
|
1.0
|
O
|
B:HOH4523
|
2.3
|
33.2
|
1.0
|
O
|
A:GLN6885
|
2.5
|
25.3
|
1.0
|
O
|
A:ARG6884
|
2.7
|
24.9
|
1.0
|
C
|
A:GLN6885
|
3.1
|
24.4
|
1.0
|
C
|
A:LEU6887
|
3.5
|
26.3
|
1.0
|
CA
|
A:GLN6885
|
3.6
|
24.5
|
1.0
|
O
|
A:HOH7308
|
3.7
|
26.1
|
1.0
|
C
|
A:ARG6884
|
3.7
|
24.5
|
1.0
|
N
|
A:LEU6887
|
4.0
|
24.3
|
1.0
|
N
|
A:TRP6886
|
4.1
|
24.0
|
1.0
|
C
|
A:TRP6886
|
4.1
|
24.6
|
1.0
|
OG1
|
B:THR4311
|
4.1
|
35.4
|
1.0
|
N
|
A:GLN6885
|
4.1
|
24.3
|
1.0
|
N
|
A:THR6889
|
4.2
|
31.3
|
1.0
|
C
|
A:PRO6888
|
4.3
|
29.4
|
1.0
|
O
|
A:HOH7251
|
4.3
|
48.3
|
1.0
|
OG1
|
A:THR6889
|
4.3
|
36.2
|
1.0
|
CA
|
A:LEU6887
|
4.3
|
25.1
|
1.0
|
O
|
A:TRP6886
|
4.4
|
23.5
|
1.0
|
O
|
A:HOH7267
|
4.4
|
34.1
|
1.0
|
N
|
A:PRO6888
|
4.4
|
27.1
|
1.0
|
CB
|
B:THR4311
|
4.5
|
32.5
|
1.0
|
CA
|
A:PRO6888
|
4.5
|
28.7
|
1.0
|
CA
|
A:TRP6886
|
4.6
|
23.9
|
1.0
|
O
|
A:PRO6888
|
4.6
|
27.6
|
1.0
|
O
|
B:VAL4310
|
4.6
|
29.4
|
1.0
|
CA
|
A:THR6889
|
4.7
|
33.5
|
1.0
|
O
|
B:HOH4591
|
4.7
|
52.5
|
1.0
|
O
|
A:HOH7370
|
4.9
|
36.8
|
1.0
|
CA
|
A:ARG6884
|
5.0
|
25.0
|
1.0
|
|
Sodium binding site 2 out
of 8 in 7ult
Go back to
Sodium Binding Sites List in 7ult
Sodium binding site 2 out
of 8 in the Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer Apo-Form.
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 2 of Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer Apo-Form. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na7102
b:55.3
occ:1.00
|
O
|
C:HOH7230
|
2.3
|
49.7
|
1.0
|
O
|
A:HOH7407
|
2.3
|
60.3
|
1.0
|
O
|
A:HOH7375
|
2.4
|
40.8
|
1.0
|
O
|
A:ASN7095
|
2.5
|
46.2
|
1.0
|
OD1
|
A:ASN7095
|
2.7
|
59.4
|
1.0
|
O
|
C:HOH7223
|
3.2
|
39.0
|
1.0
|
C
|
A:ASN7095
|
3.6
|
50.0
|
1.0
|
CG
|
A:ASN7095
|
3.9
|
57.4
|
1.0
|
O
|
C:ASP6906
|
3.9
|
25.5
|
1.0
|
N
|
A:ASN7095
|
4.0
|
45.9
|
1.0
|
CA
|
A:ASN7095
|
4.3
|
49.6
|
1.0
|
O
|
C:HOH7377
|
4.3
|
42.9
|
0.5
|
CB
|
C:ASP6906
|
4.6
|
24.9
|
1.0
|
CB
|
A:ASN7095
|
4.6
|
53.9
|
1.0
|
C
|
C:ASP6906
|
4.7
|
24.9
|
1.0
|
N
|
A:ASN7096
|
4.7
|
52.4
|
1.0
|
CA
|
C:ASP6906
|
4.8
|
24.5
|
1.0
|
ND2
|
A:ASN7095
|
4.9
|
62.5
|
1.0
|
OD1
|
C:ASP6906
|
5.0
|
26.6
|
1.0
|
|
Sodium binding site 3 out
of 8 in 7ult
Go back to
Sodium Binding Sites List in 7ult
Sodium binding site 3 out
of 8 in the Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer Apo-Form.
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 3 of Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer Apo-Form. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Na4403
b:57.5
occ:1.00
|
O
|
B:HOH4589
|
2.2
|
38.7
|
0.5
|
O
|
B:HOH4547
|
2.3
|
52.2
|
1.0
|
O
|
B:HOH4577
|
2.4
|
63.2
|
1.0
|
O
|
B:HOH4585
|
2.5
|
60.4
|
1.0
|
O
|
B:THR4355
|
2.5
|
41.6
|
1.0
|
OD1
|
B:ASN4358
|
2.8
|
45.6
|
1.0
|
CG
|
B:ASN4358
|
3.4
|
44.8
|
1.0
|
C
|
B:THR4355
|
3.4
|
39.9
|
1.0
|
O
|
B:HOH4528
|
4.0
|
62.6
|
1.0
|
CB
|
B:ASN4358
|
4.0
|
41.6
|
1.0
|
ND2
|
B:ASN4358
|
4.1
|
46.5
|
1.0
|
CA
|
B:THR4355
|
4.1
|
40.6
|
1.0
|
N
|
B:CYS4356
|
4.2
|
38.5
|
1.0
|
CA
|
B:CYS4356
|
4.5
|
38.0
|
1.0
|
O
|
B:THR4354
|
4.5
|
35.7
|
0.7
|
O
|
B:THR4354
|
4.5
|
35.4
|
0.3
|
N
|
B:ASN4358
|
4.6
|
37.7
|
1.0
|
O
|
B:HOH4555
|
4.6
|
55.1
|
1.0
|
O
|
B:HOH4588
|
4.8
|
35.9
|
0.5
|
C
|
B:CYS4356
|
4.8
|
38.0
|
1.0
|
N
|
B:ALA4357
|
4.9
|
36.6
|
1.0
|
CA
|
B:ASN4358
|
4.9
|
37.9
|
1.0
|
|
Sodium binding site 4 out
of 8 in 7ult
Go back to
Sodium Binding Sites List in 7ult
Sodium binding site 4 out
of 8 in the Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer Apo-Form.
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 4 of Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer Apo-Form. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Na4404
b:54.5
occ:1.00
|
O
|
B:HOH4583
|
2.2
|
46.0
|
0.5
|
O
|
B:HOH4580
|
2.4
|
41.6
|
0.5
|
O
|
B:THR4364
|
2.5
|
41.7
|
1.0
|
O
|
B:ASN4367
|
2.5
|
44.3
|
1.0
|
O
|
B:HOH4583
|
3.3
|
36.5
|
0.5
|
C
|
B:THR4364
|
3.7
|
40.7
|
1.0
|
C
|
B:ASN4367
|
3.7
|
44.2
|
1.0
|
O
|
B:HOH4552
|
3.8
|
46.1
|
1.0
|
CZ3
|
B:TRP4376
|
4.3
|
39.9
|
1.0
|
O
|
B:LEU4365
|
4.3
|
48.3
|
1.0
|
O
|
B:HOH4505
|
4.4
|
51.2
|
1.0
|
CA
|
B:THR4364
|
4.5
|
38.0
|
1.0
|
CA
|
B:THR4368
|
4.5
|
44.4
|
1.0
|
CH2
|
B:TRP4376
|
4.5
|
40.4
|
1.0
|
N
|
B:THR4368
|
4.5
|
43.9
|
1.0
|
N
|
B:ASN4367
|
4.6
|
45.1
|
1.0
|
C
|
B:LEU4365
|
4.6
|
47.0
|
1.0
|
N
|
B:LEU4365
|
4.6
|
43.6
|
1.0
|
O
|
B:HOH4601
|
4.7
|
51.2
|
1.0
|
CA
|
B:LEU4365
|
4.7
|
46.1
|
1.0
|
CA
|
B:ASN4367
|
4.7
|
44.2
|
1.0
|
OD2
|
B:ASP4344
|
4.7
|
56.2
|
1.0
|
|
Sodium binding site 5 out
of 8 in 7ult
Go back to
Sodium Binding Sites List in 7ult
Sodium binding site 5 out
of 8 in the Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer Apo-Form.
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 5 of Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer Apo-Form. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Na7101
b:39.6
occ:1.00
|
O
|
C:HOH7213
|
2.3
|
43.7
|
1.0
|
O
|
C:HOH7414
|
2.3
|
37.3
|
1.0
|
O
|
C:HOH7362
|
2.4
|
36.5
|
1.0
|
O
|
C:GLY6869
|
2.5
|
21.3
|
1.0
|
OD2
|
C:ASP6928
|
2.7
|
32.2
|
1.0
|
O
|
C:ASP6928
|
2.8
|
24.2
|
1.0
|
O
|
C:HOH7442
|
3.3
|
58.1
|
1.0
|
CG
|
C:ASP6928
|
3.4
|
27.7
|
1.0
|
C
|
C:GLY6869
|
3.5
|
21.6
|
1.0
|
C
|
C:ASP6928
|
3.6
|
23.0
|
1.0
|
CB
|
C:ASP6928
|
3.7
|
24.8
|
1.0
|
O
|
C:HOH7376
|
3.9
|
44.5
|
1.0
|
CA
|
C:GLY6869
|
4.0
|
22.0
|
1.0
|
O
|
C:GLY6871
|
4.2
|
29.8
|
1.0
|
CA
|
C:ASP6928
|
4.3
|
22.7
|
1.0
|
OD1
|
C:ASP6928
|
4.4
|
29.0
|
1.0
|
OD2
|
C:ASP6897
|
4.4
|
25.6
|
1.0
|
O
|
C:HOH7255
|
4.4
|
38.7
|
1.0
|
N
|
C:MET6929
|
4.5
|
22.8
|
1.0
|
O
|
C:HOH7240
|
4.5
|
57.1
|
1.0
|
O
|
C:HOH7390
|
4.5
|
36.0
|
1.0
|
O
|
C:HOH7252
|
4.7
|
54.3
|
1.0
|
N
|
C:ALA6870
|
4.7
|
21.4
|
1.0
|
CA
|
C:MET6929
|
4.7
|
24.0
|
1.0
|
|
Sodium binding site 6 out
of 8 in 7ult
Go back to
Sodium Binding Sites List in 7ult
Sodium binding site 6 out
of 8 in the Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer Apo-Form.
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 6 of Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer Apo-Form. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Na7102
b:29.4
occ:1.00
|
O
|
C:HOH7436
|
2.2
|
38.8
|
1.0
|
O
|
C:LEU6887
|
2.3
|
20.0
|
1.0
|
O
|
D:HOH4542
|
2.4
|
31.9
|
1.0
|
O
|
C:GLN6885
|
2.5
|
19.3
|
1.0
|
O
|
C:ARG6884
|
2.6
|
20.1
|
1.0
|
C
|
C:GLN6885
|
3.1
|
19.3
|
1.0
|
C
|
C:LEU6887
|
3.4
|
20.7
|
1.0
|
O
|
C:HOH7306
|
3.6
|
21.4
|
1.0
|
CA
|
C:GLN6885
|
3.6
|
19.7
|
1.0
|
C
|
C:ARG6884
|
3.7
|
20.2
|
1.0
|
N
|
C:LEU6887
|
4.0
|
19.1
|
1.0
|
N
|
C:TRP6886
|
4.0
|
18.6
|
1.0
|
C
|
C:TRP6886
|
4.1
|
18.9
|
1.0
|
OG1
|
D:THR4311
|
4.1
|
29.1
|
1.0
|
N
|
C:GLN6885
|
4.1
|
19.8
|
1.0
|
N
|
C:THR6889
|
4.2
|
24.7
|
1.0
|
O
|
C:HOH7212
|
4.2
|
50.3
|
1.0
|
C
|
C:PRO6888
|
4.3
|
23.4
|
1.0
|
CA
|
C:LEU6887
|
4.3
|
19.4
|
1.0
|
OG1
|
C:THR6889
|
4.3
|
28.7
|
1.0
|
O
|
C:TRP6886
|
4.4
|
18.8
|
1.0
|
N
|
C:PRO6888
|
4.4
|
21.4
|
1.0
|
O
|
C:HOH7222
|
4.4
|
27.3
|
1.0
|
CA
|
C:PRO6888
|
4.4
|
22.5
|
1.0
|
CB
|
D:THR4311
|
4.5
|
27.4
|
1.0
|
CA
|
C:TRP6886
|
4.6
|
18.7
|
1.0
|
O
|
D:HOH4587
|
4.7
|
43.6
|
1.0
|
O
|
C:PRO6888
|
4.7
|
22.1
|
1.0
|
O
|
D:VAL4310
|
4.7
|
23.8
|
1.0
|
CA
|
C:THR6889
|
4.8
|
26.5
|
1.0
|
O
|
C:HOH7363
|
4.8
|
30.7
|
1.0
|
CA
|
C:ARG6884
|
5.0
|
20.2
|
1.0
|
|
Sodium binding site 7 out
of 8 in 7ult
Go back to
Sodium Binding Sites List in 7ult
Sodium binding site 7 out
of 8 in the Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer Apo-Form.
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 7 of Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer Apo-Form. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Na7103
b:56.9
occ:1.00
|
O
|
C:HOH7265
|
2.2
|
39.0
|
0.5
|
O
|
C:HOH7394
|
2.3
|
59.8
|
1.0
|
OG
|
C:SER7090
|
2.6
|
44.2
|
1.0
|
O
|
C:ILE6910
|
2.6
|
31.5
|
1.0
|
O
|
C:ASP7091
|
3.4
|
40.2
|
1.0
|
CB
|
C:SER7090
|
3.7
|
39.9
|
1.0
|
C
|
C:ILE6910
|
3.8
|
32.5
|
1.0
|
CA
|
C:GLY6911
|
4.2
|
34.1
|
1.0
|
O
|
C:SER7090
|
4.3
|
36.8
|
1.0
|
C
|
C:SER7090
|
4.4
|
37.2
|
1.0
|
C
|
C:ASP7091
|
4.4
|
40.2
|
1.0
|
OG1
|
C:THR6915
|
4.4
|
33.0
|
1.0
|
N
|
C:GLY6911
|
4.5
|
31.9
|
1.0
|
O
|
C:HOH7380
|
4.5
|
36.4
|
1.0
|
CG2
|
C:VAL7092
|
4.5
|
42.9
|
1.0
|
O
|
C:HOH7358
|
4.6
|
45.7
|
1.0
|
CA
|
C:SER7090
|
4.7
|
36.7
|
1.0
|
O
|
C:HOH7365
|
4.7
|
57.9
|
1.0
|
CA
|
C:VAL7092
|
4.9
|
41.0
|
1.0
|
CA
|
C:ILE6910
|
4.9
|
31.3
|
1.0
|
N
|
C:ASP7091
|
5.0
|
37.0
|
1.0
|
|
Sodium binding site 8 out
of 8 in 7ult
Go back to
Sodium Binding Sites List in 7ult
Sodium binding site 8 out
of 8 in the Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer Apo-Form.
Mono view
Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 8 of Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer Apo-Form. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Na4403
b:65.6
occ:1.00
|
O
|
D:HOH4565
|
2.2
|
41.9
|
0.5
|
O
|
D:HOH4522
|
2.3
|
74.4
|
1.0
|
O
|
D:HOH4589
|
2.4
|
58.8
|
1.0
|
O
|
D:THR4364
|
2.6
|
41.0
|
1.0
|
O
|
D:ASN4367
|
2.6
|
45.1
|
1.0
|
O
|
D:HOH4565
|
3.2
|
36.1
|
0.5
|
O
|
D:HOH4524
|
3.4
|
56.3
|
1.0
|
O
|
D:HOH4580
|
3.4
|
64.2
|
1.0
|
O
|
D:HOH4547
|
3.7
|
41.9
|
1.0
|
C
|
D:THR4364
|
3.8
|
40.5
|
1.0
|
C
|
D:ASN4367
|
3.8
|
44.6
|
1.0
|
CZ3
|
D:TRP4376
|
4.3
|
37.9
|
1.0
|
O
|
D:LEU4365
|
4.5
|
50.1
|
1.0
|
CA
|
D:THR4368
|
4.5
|
44.3
|
1.0
|
CH2
|
D:TRP4376
|
4.6
|
37.8
|
1.0
|
N
|
D:THR4368
|
4.6
|
44.0
|
1.0
|
OD2
|
D:ASP4344
|
4.6
|
53.8
|
1.0
|
CA
|
D:THR4364
|
4.6
|
37.8
|
1.0
|
O
|
D:HOH4534
|
4.7
|
46.0
|
1.0
|
O
|
D:HOH4590
|
4.8
|
48.3
|
1.0
|
N
|
D:LEU4365
|
4.8
|
43.5
|
1.0
|
N
|
D:ASN4367
|
4.8
|
46.6
|
1.0
|
C
|
D:LEU4365
|
4.8
|
49.0
|
1.0
|
CA
|
D:LEU4365
|
4.9
|
48.0
|
1.0
|
CA
|
D:ASN4367
|
4.9
|
45.4
|
1.0
|
|
Reference:
G.Minasov,
L.Shuvalova,
J.S.Brunzelle,
M.Rosas-Lemus,
O.Kiryukhina,
K.J.F.Satchell,
Center For Structural Genomics Of Infectious Diseases(Csgid).
Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer Apo-Form. To Be Published.
Page generated: Wed Oct 9 09:15:25 2024
|