Zinc in PDB 6rwo: Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir
Other elements in 6rwo:
The structure of Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir also contains other interesting chemical elements:
Zinc Binding Sites:
The binding sites of Zinc atom in the Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir
(pdb code 6rwo). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 8 binding sites of Zinc where determined in the
Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir, PDB code: 6rwo:
Jump to Zinc binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Zinc binding site 1 out
of 8 in 6rwo
Go back to
Zinc Binding Sites List in 6rwo
Zinc binding site 1 out
of 8 in the Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn301
b:57.6
occ:1.00
|
NE2
|
A:HIS12
|
2.0
|
26.7
|
1.0
|
ND1
|
A:HIS16
|
2.2
|
25.3
|
1.0
|
SG
|
A:CYS40
|
2.4
|
30.6
|
1.0
|
SG
|
A:CYS43
|
2.4
|
29.9
|
1.0
|
CE1
|
A:HIS16
|
2.9
|
25.3
|
1.0
|
CE1
|
A:HIS12
|
2.9
|
26.7
|
1.0
|
CD2
|
A:HIS12
|
3.1
|
26.7
|
1.0
|
CB
|
A:CYS40
|
3.1
|
30.6
|
1.0
|
CG
|
A:HIS16
|
3.4
|
25.3
|
1.0
|
CB
|
A:CYS43
|
3.9
|
29.9
|
1.0
|
ND1
|
A:HIS12
|
4.0
|
26.7
|
1.0
|
CB
|
A:HIS16
|
4.0
|
25.3
|
1.0
|
CG
|
A:HIS12
|
4.1
|
26.7
|
1.0
|
NE2
|
A:HIS16
|
4.1
|
25.3
|
1.0
|
N
|
A:CYS43
|
4.2
|
29.9
|
1.0
|
CA
|
A:HIS16
|
4.4
|
25.3
|
1.0
|
CD2
|
A:HIS16
|
4.4
|
25.3
|
1.0
|
CA
|
A:CYS40
|
4.6
|
30.6
|
1.0
|
CA
|
A:CYS43
|
4.7
|
29.9
|
1.0
|
O
|
A:HIS12
|
4.8
|
26.7
|
1.0
|
CB
|
A:LYS42
|
4.9
|
27.2
|
1.0
|
C
|
A:LYS42
|
5.0
|
27.2
|
1.0
|
|
Zinc binding site 2 out
of 8 in 6rwo
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Zinc Binding Sites List in 6rwo
Zinc binding site 2 out
of 8 in the Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Zn500
b:86.7
occ:1.00
|
ND1
|
E:HIS16
|
2.2
|
61.6
|
1.0
|
NE2
|
E:HIS12
|
2.2
|
58.5
|
1.0
|
SG
|
E:CYS43
|
2.4
|
64.5
|
1.0
|
SG
|
E:CYS40
|
2.4
|
59.1
|
1.0
|
CE1
|
E:HIS12
|
2.9
|
58.5
|
1.0
|
CE1
|
E:HIS16
|
3.1
|
61.6
|
1.0
|
CB
|
E:CYS40
|
3.2
|
59.1
|
1.0
|
CD2
|
E:HIS12
|
3.2
|
58.5
|
1.0
|
CG
|
E:HIS16
|
3.3
|
61.6
|
1.0
|
CB
|
E:CYS43
|
3.3
|
64.5
|
1.0
|
CB
|
E:HIS16
|
3.6
|
61.6
|
1.0
|
ND1
|
E:HIS12
|
4.0
|
58.5
|
1.0
|
CA
|
E:HIS16
|
4.1
|
61.6
|
1.0
|
N
|
E:CYS43
|
4.1
|
64.5
|
1.0
|
CG
|
E:HIS12
|
4.2
|
58.5
|
1.0
|
NE2
|
E:HIS16
|
4.3
|
61.6
|
1.0
|
CA
|
E:CYS43
|
4.3
|
64.5
|
1.0
|
CD2
|
E:HIS16
|
4.4
|
61.6
|
1.0
|
O
|
E:HIS12
|
4.6
|
58.5
|
1.0
|
CA
|
E:CYS40
|
4.7
|
59.1
|
1.0
|
C
|
E:HIS16
|
4.9
|
61.6
|
1.0
|
CB
|
E:LYS42
|
4.9
|
62.7
|
1.0
|
C
|
E:LYS42
|
4.9
|
62.7
|
1.0
|
|
Zinc binding site 3 out
of 8 in 6rwo
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Zinc Binding Sites List in 6rwo
Zinc binding site 3 out
of 8 in the Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
K:Zn500
b:0.1
occ:1.00
|
NE2
|
K:HIS12
|
2.2
|
63.8
|
1.0
|
ND1
|
K:HIS16
|
2.2
|
57.6
|
1.0
|
SG
|
K:CYS40
|
2.4
|
82.8
|
1.0
|
SG
|
K:CYS43
|
2.4
|
79.4
|
1.0
|
CE1
|
K:HIS16
|
2.8
|
57.6
|
1.0
|
CE1
|
K:HIS12
|
3.0
|
63.8
|
1.0
|
CB
|
K:CYS40
|
3.1
|
82.8
|
1.0
|
CD2
|
K:HIS12
|
3.1
|
63.8
|
1.0
|
CG
|
K:HIS16
|
3.4
|
57.6
|
1.0
|
CB
|
K:CYS43
|
4.0
|
79.4
|
1.0
|
ND1
|
K:HIS12
|
4.0
|
63.8
|
1.0
|
CB
|
K:HIS16
|
4.0
|
57.6
|
1.0
|
CG
|
K:HIS12
|
4.1
|
63.8
|
1.0
|
NE2
|
K:HIS16
|
4.1
|
57.6
|
1.0
|
N
|
K:CYS43
|
4.4
|
79.4
|
1.0
|
CD2
|
K:HIS16
|
4.4
|
57.6
|
1.0
|
O
|
K:HIS12
|
4.4
|
63.8
|
1.0
|
CB
|
K:LYS42
|
4.4
|
74.0
|
1.0
|
CA
|
K:CYS40
|
4.5
|
82.8
|
1.0
|
CA
|
K:HIS16
|
4.5
|
57.6
|
1.0
|
CA
|
K:CYS43
|
4.8
|
79.4
|
1.0
|
C
|
K:LYS42
|
4.8
|
74.0
|
1.0
|
C
|
K:CYS40
|
4.9
|
82.8
|
1.0
|
N
|
K:LYS42
|
4.9
|
74.0
|
1.0
|
O
|
K:CYS40
|
4.9
|
82.8
|
1.0
|
CA
|
K:LYS42
|
4.9
|
74.0
|
1.0
|
|
Zinc binding site 4 out
of 8 in 6rwo
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Zinc Binding Sites List in 6rwo
Zinc binding site 4 out
of 8 in the Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 4 of Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Zn500
b:89.3
occ:1.00
|
NE2
|
J:HIS12
|
2.2
|
60.7
|
1.0
|
ND1
|
J:HIS16
|
2.2
|
60.5
|
1.0
|
SG
|
J:CYS43
|
2.4
|
77.6
|
1.0
|
SG
|
J:CYS40
|
2.4
|
70.6
|
1.0
|
CE1
|
J:HIS12
|
2.9
|
60.7
|
1.0
|
CE1
|
J:HIS16
|
3.0
|
60.5
|
1.0
|
CB
|
J:CYS40
|
3.1
|
70.6
|
1.0
|
CD2
|
J:HIS12
|
3.2
|
60.7
|
1.0
|
CG
|
J:HIS16
|
3.3
|
60.5
|
1.0
|
CB
|
J:CYS43
|
3.7
|
77.6
|
1.0
|
CB
|
J:HIS16
|
3.8
|
60.5
|
1.0
|
ND1
|
J:HIS12
|
4.0
|
60.7
|
1.0
|
NE2
|
J:HIS16
|
4.2
|
60.5
|
1.0
|
CG
|
J:HIS12
|
4.2
|
60.7
|
1.0
|
CA
|
J:HIS16
|
4.3
|
60.5
|
1.0
|
CD2
|
J:HIS16
|
4.4
|
60.5
|
1.0
|
N
|
J:CYS43
|
4.4
|
77.6
|
1.0
|
CA
|
J:CYS40
|
4.6
|
70.6
|
1.0
|
O
|
J:HIS12
|
4.6
|
60.7
|
1.0
|
CA
|
J:CYS43
|
4.6
|
77.6
|
1.0
|
|
Zinc binding site 5 out
of 8 in 6rwo
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Zinc Binding Sites List in 6rwo
Zinc binding site 5 out
of 8 in the Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 5 of Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Zn301
b:61.4
occ:1.00
|
NE2
|
I:HIS12
|
2.1
|
28.2
|
1.0
|
ND1
|
I:HIS16
|
2.2
|
25.6
|
1.0
|
SG
|
I:CYS40
|
2.4
|
31.1
|
1.0
|
SG
|
I:CYS43
|
2.4
|
31.1
|
1.0
|
CE1
|
I:HIS16
|
2.9
|
25.6
|
1.0
|
CE1
|
I:HIS12
|
2.9
|
28.2
|
1.0
|
CD2
|
I:HIS12
|
3.1
|
28.2
|
1.0
|
CB
|
I:CYS40
|
3.1
|
31.1
|
1.0
|
CG
|
I:HIS16
|
3.4
|
25.6
|
1.0
|
CB
|
I:CYS43
|
3.9
|
31.1
|
1.0
|
ND1
|
I:HIS12
|
4.0
|
28.2
|
1.0
|
CB
|
I:HIS16
|
4.0
|
25.6
|
1.0
|
CG
|
I:HIS12
|
4.1
|
28.2
|
1.0
|
NE2
|
I:HIS16
|
4.1
|
25.6
|
1.0
|
N
|
I:CYS43
|
4.2
|
31.1
|
1.0
|
CA
|
I:HIS16
|
4.4
|
25.6
|
1.0
|
CD2
|
I:HIS16
|
4.4
|
25.6
|
1.0
|
CA
|
I:CYS40
|
4.6
|
31.1
|
1.0
|
CA
|
I:CYS43
|
4.7
|
31.1
|
1.0
|
O
|
I:HIS12
|
4.8
|
28.2
|
1.0
|
CB
|
I:LYS42
|
4.9
|
27.9
|
1.0
|
C
|
I:LYS42
|
5.0
|
27.9
|
1.0
|
|
Zinc binding site 6 out
of 8 in 6rwo
Go back to
Zinc Binding Sites List in 6rwo
Zinc binding site 6 out
of 8 in the Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 6 of Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
M:Zn500
b:93.1
occ:1.00
|
ND1
|
M:HIS16
|
2.2
|
62.2
|
1.0
|
NE2
|
M:HIS12
|
2.2
|
59.2
|
1.0
|
SG
|
M:CYS43
|
2.4
|
64.5
|
1.0
|
SG
|
M:CYS40
|
2.4
|
58.9
|
1.0
|
CE1
|
M:HIS12
|
2.9
|
59.2
|
1.0
|
CE1
|
M:HIS16
|
3.1
|
62.2
|
1.0
|
CB
|
M:CYS40
|
3.2
|
58.9
|
1.0
|
CD2
|
M:HIS12
|
3.3
|
59.2
|
1.0
|
CG
|
M:HIS16
|
3.3
|
62.2
|
1.0
|
CB
|
M:CYS43
|
3.3
|
64.5
|
1.0
|
CB
|
M:HIS16
|
3.6
|
62.2
|
1.0
|
ND1
|
M:HIS12
|
4.0
|
59.2
|
1.0
|
CA
|
M:HIS16
|
4.1
|
62.2
|
1.0
|
N
|
M:CYS43
|
4.1
|
64.5
|
1.0
|
CG
|
M:HIS12
|
4.2
|
59.2
|
1.0
|
NE2
|
M:HIS16
|
4.3
|
62.2
|
1.0
|
CA
|
M:CYS43
|
4.3
|
64.5
|
1.0
|
CD2
|
M:HIS16
|
4.3
|
62.2
|
1.0
|
O
|
M:HIS12
|
4.6
|
59.2
|
1.0
|
CA
|
M:CYS40
|
4.7
|
58.9
|
1.0
|
C
|
M:HIS16
|
4.9
|
62.2
|
1.0
|
CB
|
M:LYS42
|
4.9
|
62.5
|
1.0
|
C
|
M:LYS42
|
4.9
|
62.5
|
1.0
|
|
Zinc binding site 7 out
of 8 in 6rwo
Go back to
Zinc Binding Sites List in 6rwo
Zinc binding site 7 out
of 8 in the Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 7 of Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Zn500
b:99.7
occ:1.00
|
NE2
|
C:HIS12
|
2.2
|
63.5
|
1.0
|
ND1
|
C:HIS16
|
2.2
|
57.5
|
1.0
|
SG
|
C:CYS40
|
2.4
|
83.1
|
1.0
|
SG
|
C:CYS43
|
2.4
|
78.2
|
1.0
|
CE1
|
C:HIS16
|
2.8
|
57.5
|
1.0
|
CE1
|
C:HIS12
|
3.0
|
63.5
|
1.0
|
CB
|
C:CYS40
|
3.1
|
83.1
|
1.0
|
CD2
|
C:HIS12
|
3.1
|
63.5
|
1.0
|
CG
|
C:HIS16
|
3.4
|
57.5
|
1.0
|
CB
|
C:CYS43
|
4.0
|
78.2
|
1.0
|
ND1
|
C:HIS12
|
4.0
|
63.5
|
1.0
|
CB
|
C:HIS16
|
4.0
|
57.5
|
1.0
|
CG
|
C:HIS12
|
4.1
|
63.5
|
1.0
|
NE2
|
C:HIS16
|
4.1
|
57.5
|
1.0
|
N
|
C:CYS43
|
4.4
|
78.2
|
1.0
|
CD2
|
C:HIS16
|
4.4
|
57.5
|
1.0
|
O
|
C:HIS12
|
4.4
|
63.5
|
1.0
|
CB
|
C:LYS42
|
4.4
|
74.0
|
1.0
|
CA
|
C:CYS40
|
4.5
|
83.1
|
1.0
|
CA
|
C:HIS16
|
4.5
|
57.5
|
1.0
|
CA
|
C:CYS43
|
4.8
|
78.2
|
1.0
|
C
|
C:LYS42
|
4.8
|
74.0
|
1.0
|
C
|
C:CYS40
|
4.9
|
83.1
|
1.0
|
N
|
C:LYS42
|
4.9
|
74.0
|
1.0
|
O
|
C:CYS40
|
4.9
|
83.1
|
1.0
|
CA
|
C:LYS42
|
4.9
|
74.0
|
1.0
|
|
Zinc binding site 8 out
of 8 in 6rwo
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Zinc Binding Sites List in 6rwo
Zinc binding site 8 out
of 8 in the Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 8 of Sivrcm Intasome (Q148/G140S) in Complex with Bictegravir within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn500
b:87.6
occ:1.00
|
NE2
|
B:HIS12
|
2.2
|
60.8
|
1.0
|
ND1
|
B:HIS16
|
2.2
|
60.6
|
1.0
|
SG
|
B:CYS43
|
2.4
|
78.4
|
1.0
|
SG
|
B:CYS40
|
2.4
|
70.8
|
1.0
|
CE1
|
B:HIS12
|
2.9
|
60.8
|
1.0
|
CE1
|
B:HIS16
|
3.0
|
60.6
|
1.0
|
CB
|
B:CYS40
|
3.1
|
70.8
|
1.0
|
CD2
|
B:HIS12
|
3.2
|
60.8
|
1.0
|
CG
|
B:HIS16
|
3.3
|
60.6
|
1.0
|
CB
|
B:CYS43
|
3.7
|
78.4
|
1.0
|
CB
|
B:HIS16
|
3.8
|
60.6
|
1.0
|
ND1
|
B:HIS12
|
4.0
|
60.8
|
1.0
|
NE2
|
B:HIS16
|
4.2
|
60.6
|
1.0
|
CG
|
B:HIS12
|
4.2
|
60.8
|
1.0
|
CA
|
B:HIS16
|
4.3
|
60.6
|
1.0
|
CD2
|
B:HIS16
|
4.4
|
60.6
|
1.0
|
N
|
B:CYS43
|
4.4
|
78.4
|
1.0
|
CA
|
B:CYS40
|
4.6
|
70.8
|
1.0
|
O
|
B:HIS12
|
4.6
|
60.8
|
1.0
|
CA
|
B:CYS43
|
4.6
|
78.4
|
1.0
|
|
Reference:
P.Cherepanov,
N.Nans,
N.J.Cook.
Structural Basis of Second-Generation Hiv Integrase Inhibitor Action and Viral Resistance Science 2020.
ISSN: ESSN 1095-9203
DOI: 10.1126/SCIENCE.AAY4919
Page generated: Tue Oct 29 06:49:54 2024
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