Chlorine in PDB 7jz0: Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer in Complex with (M7GPPPA2M)Pupupapapa (Cap-1) and S-Adenosyl-L-Homocysteine (Sah).
Protein crystallography data
The structure of Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer in Complex with (M7GPPPA2M)Pupupapapa (Cap-1) and S-Adenosyl-L-Homocysteine (Sah)., PDB code: 7jz0
was solved by
G.Minasov,
L.Shuvalova,
M.Rosas-Lemus,
O.Kiryukhina,
J.S.Brunzelle,
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)
|
30.00 /
2.15
|
Space group
|
P 32 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
167.238,
167.238,
98.867,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
17.3 /
19.8
|
Other elements in 7jz0:
The structure of Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer in Complex with (M7GPPPA2M)Pupupapapa (Cap-1) and S-Adenosyl-L-Homocysteine (Sah). also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer in Complex with (M7GPPPA2M)Pupupapapa (Cap-1) and S-Adenosyl-L-Homocysteine (Sah).
(pdb code 7jz0). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the
Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer in Complex with (M7GPPPA2M)Pupupapapa (Cap-1) and S-Adenosyl-L-Homocysteine (Sah)., PDB code: 7jz0:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
Chlorine binding site 1 out
of 7 in 7jz0
Go back to
Chlorine Binding Sites List in 7jz0
Chlorine binding site 1 out
of 7 in the Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer in Complex with (M7GPPPA2M)Pupupapapa (Cap-1) and S-Adenosyl-L-Homocysteine (Sah).
 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 Sars-Cov-2 NSP16/10 Heterodimer in Complex with (M7GPPPA2M)Pupupapapa (Cap-1) and S-Adenosyl-L-Homocysteine (Sah). within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl7104
b:85.9
occ:1.00
|
CG
|
A:ASN6827
|
3.2
|
67.4
|
1.0
|
ND2
|
A:ASN6827
|
3.2
|
71.2
|
1.0
|
CB
|
A:ASN6827
|
3.3
|
67.5
|
1.0
|
N
|
A:ASN6827
|
3.8
|
63.9
|
1.0
|
OD1
|
A:ASN6827
|
3.8
|
72.2
|
1.0
|
O
|
A:HOH7314
|
3.8
|
58.8
|
1.0
|
CB
|
A:GLN6826
|
3.9
|
69.5
|
1.0
|
CB
|
A:PRO7034
|
3.9
|
56.9
|
1.0
|
O
|
A:HOH7340
|
3.9
|
65.7
|
1.0
|
O
|
A:HOH7291
|
4.1
|
57.4
|
1.0
|
CA
|
A:ASN6827
|
4.1
|
66.2
|
1.0
|
OE1
|
A:GLN6826
|
4.2
|
82.9
|
1.0
|
O
|
A:ILE7035
|
4.2
|
48.1
|
1.0
|
C
|
A:GLN6826
|
4.3
|
64.2
|
1.0
|
O
|
A:HOH7222
|
4.6
|
62.3
|
1.0
|
CA
|
A:GLN6826
|
4.7
|
63.1
|
1.0
|
O
|
A:HOH7292
|
4.7
|
42.9
|
1.0
|
CA
|
A:PRO7034
|
4.8
|
55.0
|
1.0
|
C
|
A:ILE7035
|
4.9
|
46.1
|
1.0
|
N
|
A:ILE7035
|
5.0
|
48.1
|
1.0
|
CG
|
A:GLN6826
|
5.0
|
77.0
|
1.0
|
|
Chlorine binding site 2 out
of 7 in 7jz0
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Chlorine Binding Sites List in 7jz0
Chlorine binding site 2 out
of 7 in the Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer in Complex with (M7GPPPA2M)Pupupapapa (Cap-1) and S-Adenosyl-L-Homocysteine (Sah).
 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 Sars-Cov-2 NSP16/10 Heterodimer in Complex with (M7GPPPA2M)Pupupapapa (Cap-1) and S-Adenosyl-L-Homocysteine (Sah). within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl7105
b:81.4
occ:1.00
|
N
|
A:GLU6945
|
3.0
|
54.1
|
1.0
|
CA
|
A:LYS6944
|
3.6
|
45.3
|
1.0
|
C
|
A:LYS6944
|
3.7
|
48.1
|
1.0
|
CA
|
A:GLU6945
|
4.0
|
58.3
|
1.0
|
CB
|
A:GLU6945
|
4.2
|
64.0
|
1.0
|
CB
|
A:LYS6944
|
4.2
|
44.1
|
1.0
|
CD
|
A:LYS6944
|
4.2
|
45.2
|
1.0
|
O
|
A:SER6943
|
4.3
|
45.8
|
1.0
|
C
|
A:GLU6945
|
4.5
|
60.5
|
1.0
|
N
|
A:GLY6946
|
4.5
|
55.5
|
1.0
|
N
|
A:LYS6944
|
4.7
|
44.0
|
1.0
|
CG
|
A:GLU6945
|
4.7
|
71.2
|
1.0
|
CG
|
A:LYS6944
|
4.8
|
43.9
|
1.0
|
NZ
|
A:LYS6939
|
4.9
|
93.2
|
1.0
|
C
|
A:SER6943
|
4.9
|
44.1
|
1.0
|
O
|
A:LYS6944
|
5.0
|
47.3
|
1.0
|
|
Chlorine binding site 3 out
of 7 in 7jz0
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Chlorine Binding Sites List in 7jz0
Chlorine binding site 3 out
of 7 in the Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer in Complex with (M7GPPPA2M)Pupupapapa (Cap-1) and S-Adenosyl-L-Homocysteine (Sah).
 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 Sars-Cov-2 NSP16/10 Heterodimer in Complex with (M7GPPPA2M)Pupupapapa (Cap-1) and S-Adenosyl-L-Homocysteine (Sah). within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl7104
b:73.6
occ:1.00
|
N
|
C:ASN6811
|
3.2
|
45.7
|
1.0
|
CA
|
C:PRO6810
|
3.7
|
42.5
|
1.0
|
CG
|
C:ASN6811
|
3.9
|
51.7
|
1.0
|
C
|
C:PRO6810
|
4.0
|
43.5
|
1.0
|
CB
|
C:ASN6811
|
4.1
|
50.8
|
1.0
|
CB
|
C:PRO6810
|
4.1
|
43.5
|
1.0
|
OD1
|
C:ASN6811
|
4.2
|
51.0
|
1.0
|
CA
|
C:ASN6811
|
4.2
|
47.4
|
1.0
|
ND2
|
C:ASN6811
|
4.3
|
53.8
|
1.0
|
O
|
C:HOH7362
|
4.4
|
51.2
|
1.0
|
N
|
C:PRO6810
|
5.0
|
40.0
|
1.0
|
|
Chlorine binding site 4 out
of 7 in 7jz0
Go back to
Chlorine Binding Sites List in 7jz0
Chlorine binding site 4 out
of 7 in the Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer in Complex with (M7GPPPA2M)Pupupapapa (Cap-1) and S-Adenosyl-L-Homocysteine (Sah).
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer in Complex with (M7GPPPA2M)Pupupapapa (Cap-1) and S-Adenosyl-L-Homocysteine (Sah). within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl7105
b:79.7
occ:1.00
|
N
|
C:ALA6808
|
2.9
|
36.9
|
1.0
|
OE1
|
C:GLN6804
|
3.4
|
55.0
|
1.0
|
CA
|
C:VAL6807
|
3.5
|
36.6
|
1.0
|
O
|
C:HOH7335
|
3.7
|
71.8
|
1.0
|
C
|
C:VAL6807
|
3.7
|
35.9
|
1.0
|
CB
|
C:ALA6808
|
3.8
|
39.2
|
1.0
|
CA
|
C:ALA6808
|
3.9
|
37.6
|
1.0
|
CG1
|
C:VAL6807
|
4.0
|
40.8
|
1.0
|
O
|
C:GLY6806
|
4.0
|
36.5
|
1.0
|
O
|
C:ALA6808
|
4.1
|
39.5
|
1.0
|
CD
|
C:GLN6804
|
4.3
|
55.2
|
1.0
|
CB
|
C:VAL6807
|
4.3
|
39.5
|
1.0
|
C
|
C:ALA6808
|
4.5
|
39.1
|
1.0
|
N
|
C:VAL6807
|
4.6
|
35.2
|
1.0
|
NE2
|
C:GLN6804
|
4.6
|
59.5
|
1.0
|
C
|
C:GLY6806
|
4.7
|
36.7
|
1.0
|
O
|
C:HOH7230
|
4.7
|
50.0
|
1.0
|
O
|
C:VAL6807
|
5.0
|
35.6
|
1.0
|
|
Chlorine binding site 5 out
of 7 in 7jz0
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Chlorine Binding Sites List in 7jz0
Chlorine binding site 5 out
of 7 in the Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer in Complex with (M7GPPPA2M)Pupupapapa (Cap-1) and S-Adenosyl-L-Homocysteine (Sah).
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer in Complex with (M7GPPPA2M)Pupupapapa (Cap-1) and S-Adenosyl-L-Homocysteine (Sah). within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl7106
b:94.7
occ:1.00
|
O
|
C:HOH7331
|
3.4
|
62.6
|
1.0
|
OG1
|
C:THR6949
|
3.6
|
55.8
|
1.0
|
CA
|
C:TYR6950
|
3.6
|
46.9
|
1.0
|
O
|
C:HOH7223
|
3.6
|
66.0
|
1.0
|
N
|
C:TYR6950
|
3.7
|
46.8
|
1.0
|
CB
|
C:TYR6950
|
3.7
|
47.4
|
1.0
|
C
|
C:THR6949
|
4.2
|
46.8
|
1.0
|
CD1
|
C:TYR6950
|
4.2
|
49.2
|
1.0
|
CG
|
C:TYR6950
|
4.4
|
47.8
|
1.0
|
CB
|
C:ALA6914
|
4.6
|
52.9
|
1.0
|
CB
|
C:THR6949
|
4.6
|
50.7
|
1.0
|
O
|
C:THR6949
|
4.6
|
45.3
|
1.0
|
O
|
C:HOH7244
|
4.7
|
54.3
|
1.0
|
CA
|
C:ALA6914
|
5.0
|
51.7
|
1.0
|
CA
|
C:THR6949
|
5.0
|
47.2
|
1.0
|
C
|
C:TYR6950
|
5.0
|
44.4
|
1.0
|
|
Chlorine binding site 6 out
of 7 in 7jz0
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Chlorine Binding Sites List in 7jz0
Chlorine binding site 6 out
of 7 in the Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer in Complex with (M7GPPPA2M)Pupupapapa (Cap-1) and S-Adenosyl-L-Homocysteine (Sah).
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer in Complex with (M7GPPPA2M)Pupupapapa (Cap-1) and S-Adenosyl-L-Homocysteine (Sah). within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl7107
b:89.0
occ:1.00
|
O
|
C:HOH7290
|
3.3
|
65.2
|
1.0
|
NZ
|
C:LYS6958
|
3.7
|
52.9
|
1.0
|
O
|
C:ALA6919
|
3.7
|
60.7
|
1.0
|
O
|
C:GLN6957
|
4.0
|
48.4
|
1.0
|
NZ
|
C:LYS6921
|
4.0
|
57.9
|
1.0
|
CG
|
C:LYS6921
|
4.1
|
50.7
|
1.0
|
CD
|
C:LYS6958
|
4.1
|
47.9
|
1.0
|
C
|
C:ALA6919
|
4.3
|
55.4
|
1.0
|
CE
|
C:LYS6921
|
4.3
|
55.8
|
1.0
|
CE
|
C:LYS6958
|
4.5
|
52.4
|
1.0
|
C
|
C:ASN6920
|
4.5
|
48.3
|
1.0
|
O
|
C:ASN6920
|
4.6
|
47.0
|
1.0
|
N
|
C:ASN6920
|
4.7
|
53.1
|
1.0
|
N
|
C:LYS6921
|
4.8
|
46.2
|
1.0
|
CA
|
C:ASN6920
|
4.8
|
51.5
|
1.0
|
CD
|
C:LYS6921
|
4.8
|
53.4
|
1.0
|
|
Chlorine binding site 7 out
of 7 in 7jz0
Go back to
Chlorine Binding Sites List in 7jz0
Chlorine binding site 7 out
of 7 in the Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer in Complex with (M7GPPPA2M)Pupupapapa (Cap-1) and S-Adenosyl-L-Homocysteine (Sah).
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer in Complex with (M7GPPPA2M)Pupupapapa (Cap-1) and S-Adenosyl-L-Homocysteine (Sah). within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl7108
b:93.9
occ:1.00
|
N
|
C:SER6831
|
3.3
|
78.9
|
1.0
|
CA
|
C:ASP6830
|
3.9
|
76.0
|
1.0
|
C
|
C:ASP6830
|
4.1
|
75.2
|
1.0
|
CB
|
C:SER6831
|
4.1
|
82.7
|
1.0
|
O
|
C:SER6831
|
4.2
|
75.1
|
1.0
|
CA
|
C:SER6831
|
4.2
|
78.3
|
1.0
|
CB
|
C:ASP6830
|
4.3
|
74.5
|
1.0
|
OG
|
C:SER6831
|
4.5
|
86.3
|
1.0
|
OD1
|
C:ASP6830
|
4.6
|
78.1
|
1.0
|
CG
|
C:ASP6830
|
4.6
|
76.5
|
1.0
|
C
|
C:SER6831
|
4.7
|
75.8
|
1.0
|
|
Reference:
G.Minasov,
L.Shuvalova,
M.Rosas-Lemus,
O.Kiryukhina,
J.S.Brunzelle,
K.J.F.Satchell,
Center For Structural Genomics Of Infectious Diseases(Csgid).
Crystal Structure of Sars-Cov-2 NSP16/10 Heterodimer in Complex with (M7GPPPA2M)Pupupapapa (Cap-1) and S-Adenosyl-L-Homocysteine (Sah). To Be Published.
Page generated: Mon Jul 29 23:21:03 2024
|