Zinc in PDB 2ga6: The Crystal Structure of Sars NSP10 Without Zinc Ion As Additive
Protein crystallography data
The structure of The Crystal Structure of Sars NSP10 Without Zinc Ion As Additive, PDB code: 2ga6
was solved by
D.Su,
Z.Lou,
F.Sun,
Y.Zhai,
H.Yang,
Z.Rao,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
50.00 /
2.70
|
Space group
|
C 2 2 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
159.737,
322.703,
162.153,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
21.9 /
26.7
|
Zinc Binding Sites:
Zinc binding site 1 out
of 48 in 2ga6
Go back to
Zinc Binding Sites List in 2ga6
Zinc binding site 1 out
of 48 in the The Crystal Structure of Sars NSP10 Without Zinc Ion As Additive
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of The Crystal Structure of Sars NSP10 Without Zinc Ion As Additive within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn998
b:72.3
occ:1.00
|
SG
|
A:CYS74
|
2.2
|
24.2
|
1.0
|
CD2
|
A:HIS83
|
2.3
|
57.9
|
1.0
|
SG
|
A:CYS77
|
2.4
|
27.3
|
1.0
|
NE2
|
A:HIS83
|
2.4
|
59.8
|
1.0
|
CB
|
A:CYS90
|
2.5
|
40.5
|
1.0
|
SG
|
A:CYS90
|
2.6
|
36.5
|
1.0
|
CA
|
A:CYS90
|
2.7
|
52.3
|
1.0
|
N
|
A:CYS90
|
3.0
|
58.0
|
1.0
|
CG
|
A:HIS83
|
3.5
|
58.0
|
1.0
|
CE1
|
A:HIS83
|
3.7
|
63.3
|
1.0
|
CB
|
A:CYS74
|
3.9
|
29.1
|
1.0
|
CB
|
A:TYR76
|
4.1
|
28.2
|
1.0
|
N
|
A:CYS77
|
4.1
|
29.7
|
1.0
|
CB
|
A:CYS77
|
4.2
|
28.2
|
1.0
|
ND1
|
A:HIS83
|
4.2
|
61.4
|
1.0
|
C
|
A:CYS90
|
4.2
|
53.5
|
1.0
|
C
|
A:PHE89
|
4.3
|
60.0
|
1.0
|
O
|
A:HOH1022
|
4.5
|
29.1
|
1.0
|
CA
|
A:CYS77
|
4.6
|
30.8
|
1.0
|
CB
|
A:HIS83
|
4.6
|
54.4
|
1.0
|
O
|
A:HOH1008
|
4.7
|
56.2
|
1.0
|
C
|
A:TYR76
|
4.7
|
29.0
|
1.0
|
CD1
|
A:TYR76
|
4.8
|
27.4
|
1.0
|
CG
|
A:TYR76
|
4.9
|
28.9
|
1.0
|
CA
|
A:TYR76
|
4.9
|
29.0
|
1.0
|
O
|
A:CYS90
|
4.9
|
57.5
|
1.0
|
N
|
A:ASP91
|
5.0
|
51.7
|
1.0
|
|
Zinc binding site 2 out
of 48 in 2ga6
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Zinc Binding Sites List in 2ga6
Zinc binding site 2 out
of 48 in the The Crystal Structure of Sars NSP10 Without Zinc Ion As Additive
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of The Crystal Structure of Sars NSP10 Without Zinc Ion As Additive within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn999
b:43.4
occ:1.00
|
SG
|
A:CYS120
|
2.4
|
37.0
|
1.0
|
SG
|
A:CYS128
|
2.4
|
45.2
|
1.0
|
SG
|
A:CYS117
|
2.5
|
33.9
|
1.0
|
O
|
A:HOH1045
|
2.6
|
16.9
|
1.0
|
CB
|
A:CYS120
|
3.1
|
32.0
|
1.0
|
CB
|
A:CYS117
|
3.2
|
28.2
|
1.0
|
N
|
A:SER129
|
3.4
|
52.6
|
1.0
|
CB
|
A:CYS128
|
3.5
|
44.0
|
1.0
|
N
|
A:CYS120
|
3.6
|
32.9
|
1.0
|
CA
|
A:CYS128
|
3.7
|
45.0
|
1.0
|
CA
|
A:CYS120
|
3.9
|
32.6
|
1.0
|
C
|
A:CYS128
|
4.0
|
48.0
|
1.0
|
OG
|
A:SER129
|
4.1
|
50.8
|
1.0
|
CA
|
A:SER129
|
4.3
|
54.0
|
1.0
|
CB
|
A:VAL119
|
4.6
|
33.7
|
1.0
|
CA
|
A:CYS117
|
4.7
|
27.3
|
1.0
|
CB
|
A:SER129
|
4.7
|
52.5
|
1.0
|
C
|
A:VAL119
|
4.7
|
31.6
|
1.0
|
C
|
A:CYS120
|
4.8
|
32.3
|
1.0
|
N
|
A:GLY121
|
4.9
|
31.9
|
1.0
|
CG1
|
A:VAL119
|
4.9
|
35.0
|
1.0
|
|
Zinc binding site 3 out
of 48 in 2ga6
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Zinc Binding Sites List in 2ga6
Zinc binding site 3 out
of 48 in the The Crystal Structure of Sars NSP10 Without Zinc Ion As Additive
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of The Crystal Structure of Sars NSP10 Without Zinc Ion As Additive within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn998
b:67.5
occ:1.00
|
SG
|
B:CYS74
|
2.1
|
19.8
|
1.0
|
SG
|
B:CYS77
|
2.3
|
25.3
|
1.0
|
CA
|
B:CYS90
|
2.3
|
44.9
|
1.0
|
SG
|
B:CYS90
|
2.4
|
40.1
|
1.0
|
CD2
|
B:HIS83
|
2.4
|
34.0
|
1.0
|
CB
|
B:CYS90
|
2.4
|
34.7
|
1.0
|
NE2
|
B:HIS83
|
2.5
|
31.7
|
1.0
|
N
|
B:CYS90
|
2.6
|
48.2
|
1.0
|
CG
|
B:HIS83
|
3.5
|
37.2
|
1.0
|
O
|
B:HOH1014
|
3.5
|
25.6
|
1.0
|
CE1
|
B:HIS83
|
3.5
|
36.0
|
1.0
|
CB
|
B:CYS74
|
3.6
|
26.9
|
1.0
|
C
|
B:PHE89
|
3.8
|
50.5
|
1.0
|
C
|
B:CYS90
|
3.8
|
45.1
|
1.0
|
ND1
|
B:HIS83
|
4.0
|
39.4
|
1.0
|
CB
|
B:CYS77
|
4.1
|
23.1
|
1.0
|
N
|
B:CYS77
|
4.3
|
26.1
|
1.0
|
N
|
B:ASP91
|
4.4
|
45.3
|
1.0
|
O
|
B:PHE89
|
4.5
|
48.5
|
1.0
|
CB
|
B:TYR76
|
4.5
|
26.6
|
1.0
|
CB
|
B:HIS83
|
4.5
|
41.7
|
1.0
|
CA
|
B:PHE89
|
4.7
|
55.2
|
1.0
|
CA
|
B:CYS77
|
4.7
|
24.5
|
1.0
|
O
|
B:CYS90
|
4.7
|
45.9
|
1.0
|
|
Zinc binding site 4 out
of 48 in 2ga6
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Zinc Binding Sites List in 2ga6
Zinc binding site 4 out
of 48 in the The Crystal Structure of Sars NSP10 Without Zinc Ion As Additive
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 4 of The Crystal Structure of Sars NSP10 Without Zinc Ion As Additive within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn999
b:74.9
occ:1.00
|
SG
|
B:CYS117
|
2.4
|
42.9
|
1.0
|
O
|
B:HOH1036
|
2.7
|
26.4
|
1.0
|
SG
|
B:CYS128
|
2.7
|
42.8
|
1.0
|
SG
|
B:CYS120
|
2.9
|
37.8
|
1.0
|
N
|
B:SER129
|
3.3
|
51.7
|
1.0
|
CB
|
B:CYS120
|
3.4
|
36.4
|
1.0
|
CB
|
B:CYS128
|
3.9
|
42.8
|
1.0
|
N
|
B:CYS120
|
4.0
|
36.4
|
1.0
|
CA
|
B:CYS128
|
4.0
|
47.4
|
1.0
|
CA
|
B:SER129
|
4.2
|
51.4
|
1.0
|
C
|
B:CYS128
|
4.2
|
49.1
|
1.0
|
CB
|
B:VAL119
|
4.3
|
39.3
|
1.0
|
CB
|
B:CYS117
|
4.3
|
42.4
|
1.0
|
CA
|
B:CYS120
|
4.4
|
35.1
|
1.0
|
CG1
|
B:VAL119
|
4.5
|
38.9
|
1.0
|
OG
|
B:SER129
|
4.7
|
52.0
|
1.0
|
C
|
B:VAL119
|
4.8
|
37.9
|
1.0
|
CB
|
B:SER129
|
4.9
|
52.5
|
1.0
|
|
Zinc binding site 5 out
of 48 in 2ga6
Go back to
Zinc Binding Sites List in 2ga6
Zinc binding site 5 out
of 48 in the The Crystal Structure of Sars NSP10 Without Zinc Ion As Additive
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 5 of The Crystal Structure of Sars NSP10 Without Zinc Ion As Additive within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Zn998
b:84.3
occ:1.00
|
SG
|
C:CYS74
|
2.3
|
28.1
|
1.0
|
CD2
|
C:HIS83
|
2.3
|
50.9
|
1.0
|
SG
|
C:CYS77
|
2.4
|
32.4
|
1.0
|
CB
|
C:CYS90
|
2.4
|
46.7
|
1.0
|
SG
|
C:CYS90
|
2.6
|
42.2
|
1.0
|
NE2
|
C:HIS83
|
2.7
|
52.7
|
1.0
|
CA
|
C:CYS90
|
3.0
|
59.8
|
1.0
|
N
|
C:CYS90
|
3.2
|
64.8
|
1.0
|
CG
|
C:HIS83
|
3.5
|
52.0
|
1.0
|
CE1
|
C:HIS83
|
3.9
|
56.8
|
1.0
|
CB
|
C:TYR76
|
4.0
|
34.6
|
1.0
|
N
|
C:CYS77
|
4.0
|
31.9
|
1.0
|
CB
|
C:CYS74
|
4.0
|
35.5
|
1.0
|
ND2
|
C:ASN85
|
4.1
|
74.0
|
1.0
|
CB
|
C:CYS77
|
4.1
|
31.1
|
1.0
|
C
|
C:PHE89
|
4.2
|
66.0
|
1.0
|
ND1
|
C:HIS83
|
4.3
|
56.3
|
1.0
|
CB
|
C:HIS83
|
4.5
|
47.8
|
1.0
|
C
|
C:CYS90
|
4.5
|
62.1
|
1.0
|
CA
|
C:CYS77
|
4.5
|
32.4
|
1.0
|
CD1
|
C:TYR76
|
4.5
|
34.2
|
1.0
|
C
|
C:TYR76
|
4.6
|
33.6
|
1.0
|
CG
|
C:TYR76
|
4.7
|
35.1
|
1.0
|
CA
|
C:TYR76
|
4.8
|
34.8
|
1.0
|
O
|
C:PHE89
|
4.8
|
65.2
|
1.0
|
CA
|
C:PHE89
|
4.9
|
67.0
|
1.0
|
|
Zinc binding site 6 out
of 48 in 2ga6
Go back to
Zinc Binding Sites List in 2ga6
Zinc binding site 6 out
of 48 in the The Crystal Structure of Sars NSP10 Without Zinc Ion As Additive
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 6 of The Crystal Structure of Sars NSP10 Without Zinc Ion As Additive within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Zn999
b:45.4
occ:1.00
|
SG
|
C:CYS120
|
2.4
|
35.4
|
1.0
|
SG
|
C:CYS128
|
2.5
|
54.5
|
1.0
|
SG
|
C:CYS117
|
2.5
|
39.7
|
1.0
|
O
|
C:HOH1042
|
2.7
|
14.2
|
1.0
|
N
|
C:SER129
|
3.4
|
53.4
|
1.0
|
CB
|
C:CYS120
|
3.4
|
34.0
|
1.0
|
CB
|
C:CYS117
|
3.4
|
35.3
|
1.0
|
N
|
C:CYS120
|
3.8
|
37.7
|
1.0
|
CB
|
C:CYS128
|
3.9
|
50.5
|
1.0
|
CA
|
C:SER129
|
4.1
|
55.5
|
1.0
|
CA
|
C:CYS128
|
4.2
|
49.5
|
1.0
|
CB
|
C:SER129
|
4.2
|
54.0
|
1.0
|
CA
|
C:CYS120
|
4.2
|
35.6
|
1.0
|
C
|
C:CYS128
|
4.2
|
50.4
|
1.0
|
NZ
|
C:LYS124
|
4.4
|
38.5
|
1.0
|
CB
|
C:VAL119
|
4.5
|
38.1
|
1.0
|
C
|
C:VAL119
|
4.8
|
38.6
|
1.0
|
OG
|
C:SER129
|
4.9
|
49.2
|
1.0
|
CA
|
C:CYS117
|
4.9
|
35.8
|
1.0
|
|
Zinc binding site 7 out
of 48 in 2ga6
Go back to
Zinc Binding Sites List in 2ga6
Zinc binding site 7 out
of 48 in the The Crystal Structure of Sars NSP10 Without Zinc Ion As Additive
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 7 of The Crystal Structure of Sars NSP10 Without Zinc Ion As Additive within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn998
b:75.6
occ:1.00
|
NE2
|
D:HIS83
|
2.1
|
34.0
|
1.0
|
SG
|
D:CYS77
|
2.2
|
35.1
|
1.0
|
SG
|
D:CYS74
|
2.2
|
36.1
|
1.0
|
CA
|
D:CYS90
|
2.4
|
58.1
|
1.0
|
CB
|
D:CYS90
|
2.4
|
50.1
|
1.0
|
SG
|
D:CYS90
|
2.4
|
52.5
|
1.0
|
N
|
D:CYS90
|
2.5
|
59.3
|
1.0
|
CD2
|
D:HIS83
|
2.6
|
36.1
|
1.0
|
CE1
|
D:HIS83
|
3.0
|
36.1
|
1.0
|
CG
|
D:HIS83
|
3.6
|
39.7
|
1.0
|
ND1
|
D:HIS83
|
3.8
|
40.4
|
1.0
|
C
|
D:PHE89
|
3.8
|
59.2
|
1.0
|
CB
|
D:CYS74
|
3.8
|
34.2
|
1.0
|
O
|
D:HOH1012
|
3.9
|
71.2
|
1.0
|
C
|
D:CYS90
|
3.9
|
60.4
|
1.0
|
CB
|
D:CYS77
|
4.0
|
34.7
|
1.0
|
N
|
D:CYS77
|
4.3
|
29.7
|
1.0
|
CB
|
D:TYR76
|
4.5
|
35.2
|
1.0
|
CA
|
D:PHE89
|
4.5
|
62.3
|
1.0
|
O
|
D:PHE89
|
4.6
|
57.4
|
1.0
|
N
|
D:ASP91
|
4.7
|
60.2
|
1.0
|
CA
|
D:CYS77
|
4.7
|
32.8
|
1.0
|
O
|
D:CYS90
|
4.7
|
63.8
|
1.0
|
CB
|
D:HIS83
|
4.9
|
45.1
|
1.0
|
CD1
|
D:TYR76
|
5.0
|
39.0
|
1.0
|
|
Zinc binding site 8 out
of 48 in 2ga6
Go back to
Zinc Binding Sites List in 2ga6
Zinc binding site 8 out
of 48 in the The Crystal Structure of Sars NSP10 Without Zinc Ion As Additive
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 8 of The Crystal Structure of Sars NSP10 Without Zinc Ion As Additive within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn999
b:63.8
occ:1.00
|
SG
|
D:CYS128
|
2.2
|
45.7
|
1.0
|
SG
|
D:CYS120
|
2.3
|
47.1
|
1.0
|
SG
|
D:CYS117
|
2.5
|
38.9
|
1.0
|
O
|
D:HOH1028
|
2.6
|
24.2
|
1.0
|
CB
|
D:CYS120
|
2.7
|
37.5
|
1.0
|
N
|
D:CYS120
|
2.9
|
38.1
|
1.0
|
CA
|
D:CYS120
|
3.3
|
39.1
|
1.0
|
CB
|
D:CYS117
|
3.7
|
37.5
|
1.0
|
CB
|
D:CYS128
|
3.9
|
49.6
|
1.0
|
CB
|
D:VAL119
|
3.9
|
33.4
|
1.0
|
C
|
D:VAL119
|
4.0
|
36.3
|
1.0
|
N
|
D:SER129
|
4.1
|
64.2
|
1.0
|
OG
|
D:SER129
|
4.3
|
59.2
|
1.0
|
NZ
|
D:LYS124
|
4.4
|
47.9
|
1.0
|
CA
|
D:VAL119
|
4.4
|
34.4
|
1.0
|
CG1
|
D:VAL119
|
4.5
|
31.4
|
1.0
|
C
|
D:CYS120
|
4.6
|
39.3
|
1.0
|
N
|
D:VAL119
|
4.6
|
37.0
|
1.0
|
CA
|
D:CYS128
|
4.6
|
54.1
|
1.0
|
CA
|
D:SER129
|
4.7
|
65.4
|
1.0
|
C
|
D:CYS128
|
4.8
|
58.7
|
1.0
|
N
|
D:GLY121
|
4.8
|
38.2
|
1.0
|
|
Zinc binding site 9 out
of 48 in 2ga6
Go back to
Zinc Binding Sites List in 2ga6
Zinc binding site 9 out
of 48 in the The Crystal Structure of Sars NSP10 Without Zinc Ion As Additive
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 9 of The Crystal Structure of Sars NSP10 Without Zinc Ion As Additive within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Zn998
b:73.8
occ:1.00
|
CD2
|
E:HIS83
|
2.3
|
43.4
|
1.0
|
SG
|
E:CYS77
|
2.3
|
26.0
|
1.0
|
SG
|
E:CYS74
|
2.3
|
25.8
|
1.0
|
NE2
|
E:HIS83
|
2.4
|
46.3
|
1.0
|
CB
|
E:CYS90
|
2.5
|
42.5
|
1.0
|
SG
|
E:CYS90
|
2.6
|
33.8
|
1.0
|
N
|
E:CYS90
|
3.2
|
58.3
|
1.0
|
CA
|
E:CYS90
|
3.4
|
53.2
|
1.0
|
N
|
E:CYS77
|
3.5
|
23.4
|
1.0
|
CG
|
E:HIS83
|
3.6
|
48.4
|
1.0
|
CB
|
E:CYS77
|
3.6
|
23.9
|
1.0
|
CE1
|
E:HIS83
|
3.7
|
49.9
|
1.0
|
CB
|
E:TYR76
|
3.7
|
20.9
|
1.0
|
CA
|
E:CYS77
|
3.9
|
23.1
|
1.0
|
CB
|
E:CYS74
|
4.2
|
30.8
|
1.0
|
C
|
E:TYR76
|
4.2
|
24.1
|
1.0
|
ND1
|
E:HIS83
|
4.3
|
50.5
|
1.0
|
C
|
E:PHE89
|
4.3
|
62.1
|
1.0
|
CA
|
E:TYR76
|
4.5
|
23.9
|
1.0
|
CG
|
E:TYR76
|
4.6
|
25.0
|
1.0
|
CD1
|
E:TYR76
|
4.6
|
26.5
|
1.0
|
CB
|
E:HIS83
|
4.6
|
48.9
|
1.0
|
C
|
E:CYS90
|
4.7
|
53.1
|
1.0
|
ND2
|
E:ASN85
|
4.8
|
81.5
|
1.0
|
N
|
E:TYR76
|
4.9
|
26.7
|
1.0
|
CA
|
E:PHE89
|
4.9
|
65.2
|
1.0
|
O
|
E:CYS90
|
5.0
|
57.3
|
1.0
|
|
Zinc binding site 10 out
of 48 in 2ga6
Go back to
Zinc Binding Sites List in 2ga6
Zinc binding site 10 out
of 48 in the The Crystal Structure of Sars NSP10 Without Zinc Ion As Additive
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 10 of The Crystal Structure of Sars NSP10 Without Zinc Ion As Additive within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Zn999
b:44.7
occ:1.00
|
SG
|
E:CYS117
|
2.4
|
37.2
|
1.0
|
SG
|
E:CYS128
|
2.5
|
41.7
|
1.0
|
SG
|
E:CYS120
|
2.5
|
43.3
|
1.0
|
O
|
E:HOH1041
|
2.5
|
23.8
|
1.0
|
CB
|
E:CYS117
|
3.2
|
34.1
|
1.0
|
CB
|
E:CYS120
|
3.4
|
36.0
|
1.0
|
CB
|
E:CYS128
|
3.6
|
43.0
|
1.0
|
N
|
E:SER129
|
3.8
|
50.5
|
1.0
|
N
|
E:CYS120
|
3.8
|
38.2
|
1.0
|
CA
|
E:CYS128
|
3.9
|
43.5
|
1.0
|
CA
|
E:CYS120
|
4.2
|
36.9
|
1.0
|
C
|
E:CYS128
|
4.2
|
46.5
|
1.0
|
OG
|
E:SER129
|
4.2
|
49.5
|
1.0
|
NZ
|
E:LYS124
|
4.4
|
42.7
|
1.0
|
CB
|
E:VAL119
|
4.6
|
37.9
|
1.0
|
CA
|
E:CYS117
|
4.7
|
35.8
|
1.0
|
CA
|
E:SER129
|
4.7
|
55.0
|
1.0
|
C
|
E:VAL119
|
4.9
|
38.5
|
1.0
|
CB
|
E:SER129
|
5.0
|
52.9
|
1.0
|
C
|
E:CYS120
|
5.0
|
36.6
|
1.0
|
|
Reference:
D.Su,
Z.Lou,
F.Sun,
Y.Zhai,
H.Yang,
R.Zhang,
A.Joachimiak,
X.C.Zhang,
M.Bartlam,
Z.Rao.
Dodecamer Structure of Severe Acute Respiratory Syndrome Coronavirus Nonstructural Protein NSP10 J.Virol. V. 80 7902 2006.
ISSN: ISSN 0022-538X
PubMed: 16873247
DOI: 10.1128/JVI.00483-06
Page generated: Thu Oct 17 00:07:18 2024
|