Sodium 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:
Sodium Binding Sites:
The binding sites of Sodium 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 Sodium atom.
In total 4 binding sites of Sodium 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 Sodium binding site number:
1;
2;
3;
4;
Sodium binding site 1 out
of 4 in 7jz0
Go back to
Sodium Binding Sites List in 7jz0
Sodium binding site 1 out
of 4 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 Sodium with other atoms in the Na 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:Na7102
b:69.8
occ:1.00
|
O
|
E:HOH102
|
2.3
|
70.2
|
1.0
|
O
|
A:HOH7246
|
2.3
|
61.0
|
1.0
|
O
|
E:HOH103
|
2.3
|
69.4
|
1.0
|
OD1
|
A:ASN6996
|
2.6
|
39.3
|
1.0
|
O2'
|
E:U3
|
3.6
|
0.0
|
1.0
|
CG
|
A:ASN6996
|
3.8
|
37.5
|
1.0
|
OP2
|
E:U2
|
4.1
|
97.3
|
1.0
|
OG
|
A:SER6998
|
4.2
|
40.3
|
1.0
|
OP1
|
E:U2
|
4.3
|
94.2
|
1.0
|
O
|
E:HOH104
|
4.3
|
69.1
|
1.0
|
ND2
|
A:ASN6996
|
4.3
|
37.1
|
1.0
|
OP1
|
E:A2M1
|
4.4
|
80.4
|
1.0
|
CB
|
A:SER6999
|
4.6
|
33.9
|
1.0
|
CE
|
A:MET6840
|
4.6
|
61.6
|
1.0
|
P
|
E:U2
|
4.7
|
0.3
|
1.0
|
C2'
|
E:U3
|
4.9
|
0.7
|
1.0
|
O
|
A:ASP6830
|
4.9
|
78.1
|
1.0
|
CB
|
A:ASN6996
|
5.0
|
36.2
|
1.0
|
|
Sodium binding site 2 out
of 4 in 7jz0
Go back to
Sodium Binding Sites List in 7jz0
Sodium binding site 2 out
of 4 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 Sodium with other atoms in the Na 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:Na7103
b:67.9
occ:1.00
|
O
|
B:HOH4502
|
2.3
|
67.4
|
1.0
|
O
|
A:LEU6887
|
2.4
|
42.2
|
1.0
|
O
|
A:HOH7330
|
2.4
|
65.3
|
1.0
|
O
|
A:GLN6885
|
2.6
|
42.4
|
1.0
|
O
|
A:ARG6884
|
3.0
|
45.5
|
1.0
|
C
|
A:GLN6885
|
3.4
|
42.2
|
1.0
|
O
|
A:HOH7226
|
3.5
|
42.0
|
1.0
|
C
|
A:LEU6887
|
3.6
|
43.0
|
1.0
|
CA
|
A:GLN6885
|
3.9
|
43.6
|
1.0
|
OG1
|
B:THR4311
|
4.0
|
60.0
|
1.0
|
C
|
A:ARG6884
|
4.1
|
44.1
|
1.0
|
N
|
A:THR6889
|
4.1
|
54.4
|
0.5
|
CG2
|
A:THR6889
|
4.2
|
56.6
|
0.5
|
N
|
A:THR6889
|
4.2
|
52.4
|
0.5
|
N
|
A:LEU6887
|
4.2
|
40.2
|
1.0
|
O
|
A:HOH7275
|
4.2
|
54.6
|
1.0
|
C
|
A:TRP6886
|
4.3
|
41.1
|
1.0
|
C
|
A:PRO6888
|
4.3
|
51.0
|
1.0
|
N
|
A:TRP6886
|
4.3
|
41.9
|
1.0
|
CA
|
A:PRO6888
|
4.4
|
47.6
|
1.0
|
CG2
|
A:THR6889
|
4.4
|
60.6
|
0.5
|
N
|
A:PRO6888
|
4.4
|
45.0
|
1.0
|
O
|
A:TRP6886
|
4.5
|
39.8
|
1.0
|
N
|
A:GLN6885
|
4.5
|
44.5
|
1.0
|
CA
|
A:LEU6887
|
4.5
|
42.1
|
1.0
|
CB
|
B:THR4311
|
4.6
|
55.1
|
1.0
|
CA
|
A:THR6889
|
4.6
|
57.6
|
0.5
|
O
|
B:VAL4310
|
4.7
|
51.0
|
1.0
|
CA
|
A:THR6889
|
4.8
|
54.4
|
0.5
|
O
|
A:PRO6888
|
4.8
|
49.0
|
1.0
|
O
|
A:HOH7322
|
4.8
|
57.4
|
1.0
|
CA
|
A:TRP6886
|
4.8
|
40.5
|
1.0
|
|
Sodium binding site 3 out
of 4 in 7jz0
Go back to
Sodium Binding Sites List in 7jz0
Sodium binding site 3 out
of 4 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 Sodium with other atoms in the Na 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:Na7102
b:61.8
occ:1.00
|
O
|
F:HOH102
|
2.3
|
63.0
|
1.0
|
O
|
F:HOH105
|
2.3
|
55.8
|
0.5
|
O
|
C:HOH7270
|
2.3
|
58.5
|
1.0
|
O
|
F:HOH104
|
2.3
|
58.1
|
1.0
|
OD1
|
C:ASN6996
|
2.5
|
46.9
|
1.0
|
O
|
F:HOH107
|
2.8
|
68.6
|
0.7
|
CG
|
C:ASN6996
|
3.6
|
43.9
|
1.0
|
O2'
|
F:U3
|
3.6
|
0.9
|
1.0
|
ND2
|
C:ASN6996
|
4.0
|
45.1
|
1.0
|
OP2
|
F:U2
|
4.0
|
63.1
|
1.0
|
O
|
F:HOH106
|
4.2
|
61.2
|
1.0
|
OP1
|
F:U2
|
4.3
|
58.8
|
1.0
|
OG
|
C:SER6998
|
4.3
|
44.4
|
1.0
|
CB
|
C:SER6999
|
4.3
|
39.3
|
1.0
|
OP1
|
F:A2M1
|
4.5
|
56.6
|
1.0
|
P
|
F:U2
|
4.6
|
64.4
|
1.0
|
O
|
C:ASP6830
|
4.7
|
74.0
|
1.0
|
CE
|
C:MET6840
|
4.8
|
58.1
|
1.0
|
C2'
|
F:U3
|
4.8
|
0.2
|
1.0
|
CB
|
C:ASN6996
|
4.8
|
41.1
|
1.0
|
C1'
|
F:U3
|
5.0
|
0.8
|
1.0
|
|
Sodium binding site 4 out
of 4 in 7jz0
Go back to
Sodium Binding Sites List in 7jz0
Sodium binding site 4 out
of 4 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 Sodium with other atoms in the Na 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:Na7103
b:58.5
occ:1.00
|
O
|
C:HOH7338
|
2.2
|
58.5
|
1.0
|
O
|
C:LEU6887
|
2.3
|
33.2
|
1.0
|
O
|
D:HOH4520
|
2.4
|
55.9
|
1.0
|
O
|
C:GLN6885
|
2.6
|
31.2
|
1.0
|
O
|
C:ARG6884
|
2.8
|
36.6
|
1.0
|
C
|
C:GLN6885
|
3.3
|
31.7
|
1.0
|
C
|
C:LEU6887
|
3.5
|
32.9
|
1.0
|
O
|
C:HOH7289
|
3.6
|
38.1
|
1.0
|
CA
|
C:GLN6885
|
3.8
|
34.3
|
1.0
|
C
|
C:ARG6884
|
3.8
|
36.4
|
1.0
|
OG1
|
D:THR4311
|
4.0
|
52.1
|
1.0
|
N
|
C:LEU6887
|
4.1
|
31.6
|
1.0
|
C
|
C:TRP6886
|
4.1
|
32.3
|
1.0
|
O
|
C:HOH7266
|
4.1
|
40.7
|
1.0
|
N
|
C:THR6889
|
4.2
|
40.0
|
1.0
|
N
|
C:TRP6886
|
4.2
|
30.5
|
1.0
|
OG1
|
C:THR6889
|
4.2
|
49.5
|
1.0
|
C
|
C:PRO6888
|
4.3
|
38.3
|
1.0
|
N
|
C:GLN6885
|
4.3
|
34.0
|
1.0
|
O
|
C:TRP6886
|
4.3
|
30.4
|
1.0
|
CA
|
C:LEU6887
|
4.4
|
32.7
|
1.0
|
N
|
C:PRO6888
|
4.4
|
33.7
|
1.0
|
CA
|
C:PRO6888
|
4.4
|
35.9
|
1.0
|
CB
|
D:THR4311
|
4.5
|
46.0
|
1.0
|
CA
|
C:TRP6886
|
4.7
|
30.5
|
1.0
|
O
|
C:HOH7308
|
4.7
|
49.8
|
1.0
|
O
|
D:HOH4536
|
4.7
|
58.4
|
1.0
|
O
|
D:VAL4310
|
4.8
|
39.7
|
1.0
|
O
|
C:PRO6888
|
4.8
|
35.7
|
1.0
|
CA
|
C:THR6889
|
4.8
|
44.2
|
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: Tue Oct 8 17:05:57 2024
|