Chlorine in PDB 6axy: Structure of the V11I/T58A/I124A Mutant of the Hiv-1 Capsid Protein
Protein crystallography data
The structure of Structure of the V11I/T58A/I124A Mutant of the Hiv-1 Capsid Protein, PDB code: 6axy
was solved by
A.T.Gres,
K.A.Kirby,
S.G.Sarafianos,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
45.96 /
2.78
|
Space group
|
P 6
|
Cell size a, b, c (Å), α, β, γ (°)
|
91.915,
91.915,
57.919,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
21.3 /
26
|
Other elements in 6axy:
The structure of Structure of the V11I/T58A/I124A Mutant of the Hiv-1 Capsid Protein also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Structure of the V11I/T58A/I124A Mutant of the Hiv-1 Capsid Protein
(pdb code 6axy). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the
Structure of the V11I/T58A/I124A Mutant of the Hiv-1 Capsid Protein, PDB code: 6axy:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
Chlorine binding site 1 out
of 9 in 6axy
Go back to
Chlorine Binding Sites List in 6axy
Chlorine binding site 1 out
of 9 in the Structure of the V11I/T58A/I124A Mutant of the Hiv-1 Capsid Protein
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Structure of the V11I/T58A/I124A Mutant of the Hiv-1 Capsid Protein within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl308
b:80.9
occ:1.00
|
CD
|
A:PRO17
|
3.7
|
91.0
|
1.0
|
CG
|
A:ARG18
|
3.7
|
93.8
|
1.0
|
CB
|
A:SER16
|
3.8
|
85.5
|
1.0
|
N
|
A:ARG18
|
3.8
|
90.0
|
1.0
|
CD
|
A:ARG18
|
3.9
|
97.5
|
1.0
|
OG
|
A:SER16
|
4.0
|
86.4
|
1.0
|
CG
|
A:PRO17
|
4.0
|
93.9
|
1.0
|
N
|
A:PRO17
|
4.0
|
88.7
|
1.0
|
CB
|
A:ARG18
|
4.1
|
93.5
|
1.0
|
CB
|
A:PRO17
|
4.1
|
93.6
|
1.0
|
C
|
A:SER16
|
4.5
|
88.2
|
1.0
|
CA
|
A:PRO17
|
4.6
|
90.3
|
1.0
|
CA
|
A:SER16
|
4.6
|
86.9
|
1.0
|
CA
|
A:ARG18
|
4.6
|
90.2
|
1.0
|
C
|
A:PRO17
|
4.7
|
89.4
|
1.0
|
|
Chlorine binding site 2 out
of 9 in 6axy
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Chlorine Binding Sites List in 6axy
Chlorine binding site 2 out
of 9 in the Structure of the V11I/T58A/I124A Mutant of the Hiv-1 Capsid Protein
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Structure of the V11I/T58A/I124A Mutant of the Hiv-1 Capsid Protein within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl309
b:61.0
occ:1.00
|
O
|
A:HOH404
|
3.0
|
38.0
|
1.0
|
CG
|
A:PRO38
|
3.5
|
81.7
|
1.0
|
NH2
|
A:ARG173
|
3.8
|
64.0
|
1.0
|
CD
|
A:PRO38
|
4.2
|
78.7
|
1.0
|
CB
|
A:PRO38
|
4.7
|
81.4
|
1.0
|
NE
|
A:ARG173
|
4.7
|
61.4
|
1.0
|
CZ
|
A:ARG173
|
4.8
|
62.6
|
1.0
|
I
|
A:IOD304
|
4.8
|
83.3
|
0.6
|
|
Chlorine binding site 3 out
of 9 in 6axy
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Chlorine Binding Sites List in 6axy
Chlorine binding site 3 out
of 9 in the Structure of the V11I/T58A/I124A Mutant of the Hiv-1 Capsid Protein
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Structure of the V11I/T58A/I124A Mutant of the Hiv-1 Capsid Protein within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl310
b:57.4
occ:1.00
|
O
|
A:GLY60
|
2.9
|
59.5
|
1.0
|
CD2
|
A:HIS62
|
3.4
|
64.8
|
1.0
|
NE2
|
A:HIS62
|
3.7
|
66.8
|
1.0
|
CG
|
A:GLU28
|
4.1
|
92.8
|
1.0
|
C
|
A:GLY60
|
4.1
|
58.2
|
1.0
|
CG1
|
A:VAL59
|
4.2
|
53.9
|
1.0
|
CA
|
A:GLU28
|
4.2
|
88.9
|
1.0
|
O
|
A:VAL27
|
4.2
|
82.5
|
1.0
|
CG1
|
A:VAL27
|
4.2
|
80.5
|
1.0
|
N
|
A:GLU28
|
4.3
|
85.5
|
1.0
|
C
|
A:VAL27
|
4.4
|
82.7
|
1.0
|
CA
|
A:GLY61
|
4.6
|
59.7
|
1.0
|
CG
|
A:HIS62
|
4.6
|
63.8
|
1.0
|
C
|
A:GLY61
|
4.7
|
59.6
|
1.0
|
CB
|
A:GLU28
|
4.7
|
91.5
|
1.0
|
O
|
A:GLY61
|
4.8
|
59.0
|
1.0
|
N
|
A:GLY60
|
4.9
|
56.5
|
1.0
|
N
|
A:GLY61
|
4.9
|
58.7
|
1.0
|
CB
|
A:VAL27
|
4.9
|
79.8
|
1.0
|
CE1
|
A:HIS62
|
5.0
|
67.3
|
1.0
|
|
Chlorine binding site 4 out
of 9 in 6axy
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Chlorine Binding Sites List in 6axy
Chlorine binding site 4 out
of 9 in the Structure of the V11I/T58A/I124A Mutant of the Hiv-1 Capsid Protein
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Structure of the V11I/T58A/I124A Mutant of the Hiv-1 Capsid Protein within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl311
b:72.6
occ:1.00
|
N
|
A:PHE32
|
3.3
|
79.5
|
1.0
|
CB
|
A:ALA31
|
3.5
|
84.7
|
1.0
|
CB
|
A:PHE32
|
3.8
|
77.7
|
1.0
|
CD2
|
A:TYR145
|
3.8
|
80.8
|
1.0
|
CA
|
A:PHE32
|
3.9
|
77.7
|
1.0
|
CB
|
A:TYR145
|
3.9
|
76.5
|
1.0
|
C
|
A:PHE32
|
4.2
|
77.7
|
1.0
|
CD2
|
A:PHE32
|
4.2
|
78.3
|
1.0
|
O
|
A:PHE32
|
4.2
|
78.3
|
1.0
|
C
|
A:ALA31
|
4.3
|
81.2
|
1.0
|
CG
|
A:TYR145
|
4.4
|
79.1
|
1.0
|
CG
|
A:PHE32
|
4.5
|
77.7
|
1.0
|
CA
|
A:ALA31
|
4.5
|
83.7
|
1.0
|
O
|
A:TYR145
|
4.6
|
75.8
|
1.0
|
CE2
|
A:TYR145
|
4.9
|
83.0
|
1.0
|
N
|
A:SER33
|
4.9
|
77.2
|
1.0
|
|
Chlorine binding site 5 out
of 9 in 6axy
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Chlorine Binding Sites List in 6axy
Chlorine binding site 5 out
of 9 in the Structure of the V11I/T58A/I124A Mutant of the Hiv-1 Capsid Protein
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Structure of the V11I/T58A/I124A Mutant of the Hiv-1 Capsid Protein within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl312
b:89.2
occ:1.00
|
CZ3
|
A:TRP80
|
3.9
|
69.9
|
1.0
|
CD1
|
A:ILE129
|
4.0
|
71.5
|
1.0
|
CG1
|
A:ILE129
|
4.0
|
71.8
|
1.0
|
CH2
|
A:TRP80
|
4.1
|
70.5
|
1.0
|
NH1
|
A:ARG132
|
4.4
|
87.8
|
1.0
|
NH2
|
A:ARG132
|
4.5
|
89.0
|
1.0
|
CZ
|
A:ARG132
|
4.9
|
86.7
|
1.0
|
|
Chlorine binding site 6 out
of 9 in 6axy
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Chlorine Binding Sites List in 6axy
Chlorine binding site 6 out
of 9 in the Structure of the V11I/T58A/I124A Mutant of the Hiv-1 Capsid Protein
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Structure of the V11I/T58A/I124A Mutant of the Hiv-1 Capsid Protein within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl313
b:69.3
occ:1.00
|
ND2
|
A:ASN21
|
3.0
|
91.2
|
1.0
|
CA
|
A:ASN21
|
3.4
|
82.9
|
1.0
|
CB
|
A:ASN21
|
3.4
|
86.1
|
1.0
|
CG
|
A:ASN21
|
3.7
|
89.1
|
1.0
|
N
|
A:ASN21
|
3.8
|
80.8
|
1.0
|
O
|
A:PRO17
|
4.2
|
88.8
|
1.0
|
C
|
A:LEU20
|
4.6
|
78.8
|
1.0
|
CG
|
A:LEU20
|
4.7
|
80.2
|
1.0
|
C
|
A:ASN21
|
4.8
|
81.8
|
1.0
|
CD2
|
A:LEU20
|
4.8
|
82.5
|
1.0
|
OD1
|
A:ASN21
|
4.9
|
90.1
|
1.0
|
CB
|
A:LEU20
|
5.0
|
79.6
|
1.0
|
|
Chlorine binding site 7 out
of 9 in 6axy
Go back to
Chlorine Binding Sites List in 6axy
Chlorine binding site 7 out
of 9 in the Structure of the V11I/T58A/I124A Mutant of the Hiv-1 Capsid Protein
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of Structure of the V11I/T58A/I124A Mutant of the Hiv-1 Capsid Protein within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl314
b:82.2
occ:0.90
|
N
|
A:GLN63
|
3.3
|
58.3
|
1.0
|
N
|
A:HIS62
|
3.3
|
60.7
|
1.0
|
CA
|
A:GLY61
|
3.4
|
59.7
|
1.0
|
C
|
A:GLY61
|
3.5
|
59.6
|
1.0
|
CG
|
A:GLN63
|
3.6
|
57.7
|
1.0
|
CB
|
A:GLN63
|
3.7
|
57.7
|
1.0
|
CA
|
A:GLN63
|
4.1
|
57.2
|
1.0
|
CA
|
A:HIS62
|
4.1
|
60.9
|
1.0
|
N
|
A:GLY61
|
4.2
|
58.7
|
1.0
|
C
|
A:HIS62
|
4.2
|
59.2
|
1.0
|
O
|
A:GLY61
|
4.4
|
59.0
|
1.0
|
CD
|
A:GLN63
|
4.9
|
56.9
|
1.0
|
|
Chlorine binding site 8 out
of 9 in 6axy
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Chlorine Binding Sites List in 6axy
Chlorine binding site 8 out
of 9 in the Structure of the V11I/T58A/I124A Mutant of the Hiv-1 Capsid Protein
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 8 of Structure of the V11I/T58A/I124A Mutant of the Hiv-1 Capsid Protein within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl315
b:77.3
occ:1.00
|
N
|
A:ARG97
|
3.1
|
83.0
|
1.0
|
CD
|
A:ARG97
|
3.6
|
82.8
|
1.0
|
CG
|
A:ARG97
|
3.8
|
81.9
|
1.0
|
CA
|
A:MET96
|
3.8
|
84.0
|
1.0
|
CB
|
A:ARG97
|
3.8
|
83.2
|
1.0
|
C
|
A:MET96
|
3.9
|
83.6
|
1.0
|
CA
|
A:ARG97
|
4.1
|
83.4
|
1.0
|
OE2
|
A:GLU113
|
4.2
|
81.3
|
1.0
|
NE
|
A:ARG97
|
4.3
|
81.7
|
1.0
|
SD
|
A:MET96
|
4.3
|
86.5
|
1.0
|
O
|
A:GLN95
|
4.3
|
85.6
|
1.0
|
CB
|
A:MET96
|
4.5
|
83.9
|
1.0
|
CE
|
A:MET96
|
4.6
|
84.3
|
1.0
|
CG2
|
A:ILE91
|
4.7
|
85.2
|
1.0
|
N
|
A:MET96
|
4.9
|
84.9
|
1.0
|
CG1
|
A:ILE91
|
4.9
|
85.0
|
1.0
|
O
|
A:MET96
|
5.0
|
83.7
|
1.0
|
|
Chlorine binding site 9 out
of 9 in 6axy
Go back to
Chlorine Binding Sites List in 6axy
Chlorine binding site 9 out
of 9 in the Structure of the V11I/T58A/I124A Mutant of the Hiv-1 Capsid Protein
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 9 of Structure of the V11I/T58A/I124A Mutant of the Hiv-1 Capsid Protein within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl316
b:78.9
occ:1.00
|
NE
|
A:ARG167
|
3.2
|
67.3
|
1.0
|
CD1
|
A:ILE153
|
3.4
|
66.9
|
1.0
|
O
|
A:HOH424
|
3.5
|
41.8
|
1.0
|
NH2
|
A:ARG167
|
3.8
|
70.1
|
1.0
|
CG
|
A:ARG167
|
3.9
|
64.6
|
1.0
|
CB
|
A:ARG167
|
3.9
|
62.7
|
1.0
|
CZ
|
A:ARG167
|
4.0
|
68.7
|
1.0
|
CD
|
A:ARG167
|
4.1
|
66.0
|
1.0
|
CG2
|
A:THR148
|
4.5
|
75.7
|
1.0
|
OG1
|
A:THR171
|
4.6
|
60.5
|
1.0
|
CA
|
A:ARG167
|
4.8
|
61.1
|
1.0
|
CG1
|
A:ILE153
|
4.9
|
65.7
|
1.0
|
|
Reference:
M.Novikova,
A.T.Gres,
K.A.Kirby,
S.G.Sarafianos,
E.O.Freed.
Identification of A Novel Element in Hiv-1 Capsid Critical For Assembly and Maturation To Be Published.
Page generated: Fri Jul 26 22:22:46 2024
|