Chlorine in PDB 6b2i: E45A Mutant of the Hiv-1 Capsid Protein
Protein crystallography data
The structure of E45A Mutant of the Hiv-1 Capsid Protein, PDB code: 6b2i
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)
|
34.61 /
2.50
|
Space group
|
P 6
|
Cell size a, b, c (Å), α, β, γ (°)
|
87.608,
87.608,
56.474,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
20.3 /
24.6
|
Other elements in 6b2i:
The structure of E45A Mutant of the Hiv-1 Capsid Protein also contains other interesting chemical elements:
Chlorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
12;
Binding sites:
The binding sites of Chlorine atom in the E45A Mutant of the Hiv-1 Capsid Protein
(pdb code 6b2i). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 12 binding sites of Chlorine where determined in the
E45A Mutant of the Hiv-1 Capsid Protein, PDB code: 6b2i:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Chlorine binding site 1 out
of 12 in 6b2i
Go back to
Chlorine Binding Sites List in 6b2i
Chlorine binding site 1 out
of 12 in the E45A 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 E45A Mutant of the Hiv-1 Capsid Protein within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl304
b:53.7
occ:1.00
|
O
|
A:PRO17
|
3.4
|
71.0
|
1.0
|
C
|
A:PRO17
|
3.6
|
64.4
|
1.0
|
ND2
|
A:ASN21
|
3.7
|
0.3
|
1.0
|
N
|
A:ARG18
|
3.9
|
63.6
|
1.0
|
CB
|
A:PRO17
|
3.9
|
68.6
|
1.0
|
CA
|
A:ARG18
|
4.0
|
69.4
|
1.0
|
CB
|
A:ASN21
|
4.2
|
90.6
|
1.0
|
CG
|
A:ASN21
|
4.2
|
0.5
|
1.0
|
CA
|
A:PRO17
|
4.4
|
68.9
|
1.0
|
CG
|
A:ARG18
|
4.7
|
75.6
|
1.0
|
CB
|
A:ARG18
|
4.9
|
75.6
|
1.0
|
|
Chlorine binding site 2 out
of 12 in 6b2i
Go back to
Chlorine Binding Sites List in 6b2i
Chlorine binding site 2 out
of 12 in the E45A 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 E45A Mutant of the Hiv-1 Capsid Protein within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl305
b:74.0
occ:1.00
|
NH1
|
A:ARG173
|
3.5
|
39.7
|
1.0
|
CG
|
A:PRO38
|
3.7
|
54.7
|
1.0
|
O
|
A:HOH450
|
3.8
|
85.9
|
1.0
|
CZ
|
A:ARG173
|
4.4
|
64.6
|
1.0
|
NE
|
A:ARG173
|
4.4
|
65.2
|
1.0
|
CD
|
A:PRO38
|
4.7
|
48.6
|
1.0
|
I
|
A:IOD302
|
4.8
|
75.3
|
0.6
|
CB
|
A:PRO38
|
4.8
|
58.7
|
1.0
|
|
Chlorine binding site 3 out
of 12 in 6b2i
Go back to
Chlorine Binding Sites List in 6b2i
Chlorine binding site 3 out
of 12 in the E45A 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 E45A Mutant of the Hiv-1 Capsid Protein within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl306
b:82.4
occ:1.00
|
CD
|
A:PRO125
|
4.3
|
53.0
|
1.0
|
CG2
|
A:ILE124
|
4.3
|
69.0
|
1.0
|
CH2
|
A:TRP80
|
4.4
|
59.6
|
1.0
|
CL
|
A:CL315
|
4.5
|
0.9
|
1.0
|
CA
|
A:ILE124
|
4.7
|
74.7
|
1.0
|
CD1
|
A:ILE129
|
4.9
|
48.7
|
1.0
|
CB
|
A:ILE124
|
4.9
|
70.4
|
1.0
|
CG1
|
A:ILE124
|
5.0
|
74.2
|
1.0
|
|
Chlorine binding site 4 out
of 12 in 6b2i
Go back to
Chlorine Binding Sites List in 6b2i
Chlorine binding site 4 out
of 12 in the E45A 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 E45A Mutant of the Hiv-1 Capsid Protein within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl307
b:89.5
occ:1.00
|
CD
|
A:LYS158
|
3.7
|
99.2
|
1.0
|
CE
|
A:LYS158
|
4.2
|
0.5
|
1.0
|
NZ
|
A:LYS158
|
4.5
|
0.8
|
1.0
|
CG
|
A:LYS158
|
4.9
|
89.0
|
1.0
|
|
Chlorine binding site 5 out
of 12 in 6b2i
Go back to
Chlorine Binding Sites List in 6b2i
Chlorine binding site 5 out
of 12 in the E45A 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 E45A Mutant of the Hiv-1 Capsid Protein within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl308
b:68.5
occ:1.00
|
ND2
|
A:ASN57
|
3.3
|
57.5
|
1.0
|
CB
|
A:ASN57
|
3.9
|
50.2
|
1.0
|
CG
|
A:ASN57
|
4.1
|
60.2
|
1.0
|
CA
|
A:THR54
|
4.2
|
58.7
|
1.0
|
OG1
|
A:THR54
|
4.3
|
67.9
|
1.0
|
O
|
A:ASN53
|
4.5
|
49.1
|
1.0
|
CB
|
A:THR54
|
4.7
|
58.3
|
1.0
|
N
|
A:THR54
|
4.7
|
53.2
|
1.0
|
C
|
A:ASN53
|
4.8
|
47.7
|
1.0
|
CG2
|
A:THR54
|
5.0
|
59.5
|
1.0
|
|
Chlorine binding site 6 out
of 12 in 6b2i
Go back to
Chlorine Binding Sites List in 6b2i
Chlorine binding site 6 out
of 12 in the E45A 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 E45A Mutant of the Hiv-1 Capsid Protein within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl309
b:79.1
occ:1.00
|
CB
|
A:ARG167
|
3.7
|
38.7
|
1.0
|
OG1
|
A:THR171
|
3.8
|
41.9
|
1.0
|
CG
|
A:ARG167
|
3.9
|
52.8
|
1.0
|
CD1
|
A:ILE153
|
4.0
|
55.8
|
1.0
|
CA
|
A:ARG167
|
4.0
|
47.2
|
1.0
|
O
|
A:ARG167
|
4.0
|
46.1
|
1.0
|
O
|
A:HOH433
|
4.2
|
73.9
|
1.0
|
CD
|
A:ARG167
|
4.3
|
64.6
|
1.0
|
OG1
|
A:THR148
|
4.3
|
87.2
|
1.0
|
C
|
A:ARG167
|
4.5
|
43.1
|
1.0
|
CD
|
A:LYS170
|
4.5
|
87.3
|
1.0
|
CE
|
A:LYS170
|
4.8
|
0.9
|
1.0
|
CG
|
A:LYS170
|
4.9
|
70.2
|
1.0
|
NH2
|
A:ARG167
|
4.9
|
52.1
|
1.0
|
|
Chlorine binding site 7 out
of 12 in 6b2i
Go back to
Chlorine Binding Sites List in 6b2i
Chlorine binding site 7 out
of 12 in the E45A 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 E45A Mutant of the Hiv-1 Capsid Protein within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl310
b:59.0
occ:1.00
|
CG
|
A:GLN176
|
3.8
|
66.9
|
1.0
|
O
|
A:HOH447
|
3.9
|
55.6
|
1.0
|
CD
|
A:ARG143
|
4.0
|
78.5
|
1.0
|
CB
|
A:GLN176
|
4.1
|
63.0
|
1.0
|
O
|
A:ASN139
|
4.1
|
48.5
|
1.0
|
O
|
A:HOH410
|
4.2
|
69.5
|
1.0
|
C
|
A:ASN139
|
4.3
|
50.9
|
1.0
|
CB
|
A:ASN139
|
4.3
|
54.4
|
1.0
|
NH2
|
A:ARG143
|
4.3
|
0.6
|
1.0
|
N
|
A:LYS140
|
4.4
|
46.1
|
1.0
|
CG
|
A:LYS140
|
4.5
|
45.2
|
1.0
|
CA
|
A:LYS140
|
4.5
|
40.0
|
1.0
|
CD
|
A:GLN176
|
4.6
|
80.5
|
1.0
|
CB
|
A:ARG143
|
4.6
|
63.5
|
1.0
|
OE1
|
A:GLN176
|
4.8
|
84.8
|
1.0
|
CG
|
A:ARG143
|
4.9
|
67.4
|
1.0
|
CA
|
A:ASN139
|
4.9
|
54.0
|
1.0
|
NZ
|
A:LYS140
|
5.0
|
72.4
|
1.0
|
NE
|
A:ARG143
|
5.0
|
93.5
|
1.0
|
|
Chlorine binding site 8 out
of 12 in 6b2i
Go back to
Chlorine Binding Sites List in 6b2i
Chlorine binding site 8 out
of 12 in the E45A 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 E45A Mutant of the Hiv-1 Capsid Protein within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl311
b:0.1
occ:1.00
|
CL
|
A:CL313
|
3.2
|
99.3
|
1.0
|
O
|
A:GLN219
|
3.4
|
0.2
|
1.0
|
CG
|
A:GLN219
|
3.8
|
0.5
|
1.0
|
NH2
|
A:ARG162
|
4.2
|
86.9
|
1.0
|
CZ
|
A:ARG162
|
4.3
|
87.3
|
1.0
|
C
|
A:GLN219
|
4.3
|
0.4
|
1.0
|
CA
|
A:GLN219
|
4.3
|
95.1
|
1.0
|
NE
|
A:ARG162
|
4.3
|
96.0
|
1.0
|
CD
|
A:ARG162
|
4.3
|
99.0
|
1.0
|
CB
|
A:PRO160
|
4.4
|
57.8
|
1.0
|
CB
|
A:GLN219
|
4.6
|
98.3
|
1.0
|
NH1
|
A:ARG162
|
4.9
|
77.5
|
1.0
|
CD
|
A:GLN219
|
4.9
|
0.6
|
1.0
|
CG
|
A:ARG162
|
5.0
|
93.9
|
1.0
|
|
Chlorine binding site 9 out
of 12 in 6b2i
Go back to
Chlorine Binding Sites List in 6b2i
Chlorine binding site 9 out
of 12 in the E45A 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 E45A Mutant of the Hiv-1 Capsid Protein within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl312
b:92.3
occ:1.00
|
O
|
A:HOH451
|
3.4
|
60.3
|
1.0
|
CD1
|
A:ILE115
|
3.7
|
55.8
|
1.0
|
CB
|
A:HIS12
|
4.2
|
99.2
|
1.0
|
CD2
|
A:LEU111
|
4.2
|
65.8
|
1.0
|
N
|
A:HIS12
|
4.3
|
97.9
|
1.0
|
O
|
A:HOH424
|
4.4
|
63.2
|
1.0
|
CG
|
A:LEU111
|
4.5
|
54.2
|
1.0
|
CA
|
A:HIS12
|
4.9
|
99.6
|
1.0
|
|
Chlorine binding site 10 out
of 12 in 6b2i
Go back to
Chlorine Binding Sites List in 6b2i
Chlorine binding site 10 out
of 12 in the E45A 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 10 of E45A Mutant of the Hiv-1 Capsid Protein within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl313
b:99.3
occ:1.00
|
NE
|
A:ARG162
|
2.9
|
96.0
|
1.0
|
CL
|
A:CL311
|
3.2
|
0.1
|
1.0
|
CD
|
A:ARG162
|
3.5
|
99.0
|
1.0
|
CZ
|
A:ARG162
|
3.5
|
87.3
|
1.0
|
CG
|
A:ARG162
|
3.5
|
93.9
|
1.0
|
N
|
A:ARG162
|
3.6
|
51.2
|
1.0
|
N
|
A:PHE161
|
3.7
|
48.3
|
1.0
|
CA
|
A:GLN219
|
3.7
|
95.1
|
1.0
|
NH1
|
A:ARG162
|
3.8
|
77.5
|
1.0
|
O
|
A:CYS218
|
3.9
|
84.9
|
1.0
|
CB
|
A:PHE161
|
4.1
|
34.4
|
1.0
|
CB
|
A:ARG162
|
4.1
|
81.5
|
1.0
|
O
|
A:MET215
|
4.2
|
67.7
|
1.0
|
CA
|
A:PHE161
|
4.3
|
44.8
|
1.0
|
N
|
A:GLN219
|
4.3
|
86.3
|
1.0
|
NH2
|
A:ARG162
|
4.4
|
86.9
|
1.0
|
CB
|
A:PRO160
|
4.4
|
57.8
|
1.0
|
CB
|
A:GLN219
|
4.4
|
98.3
|
1.0
|
C
|
A:CYS218
|
4.4
|
82.0
|
1.0
|
C
|
A:PHE161
|
4.4
|
48.7
|
1.0
|
CG
|
A:GLN219
|
4.4
|
0.5
|
1.0
|
C
|
A:PRO160
|
4.5
|
49.5
|
1.0
|
CA
|
A:ARG162
|
4.5
|
67.2
|
1.0
|
O
|
A:GLN219
|
4.6
|
0.2
|
1.0
|
C
|
A:GLN219
|
4.6
|
0.4
|
1.0
|
CA
|
A:PRO160
|
4.6
|
58.1
|
1.0
|
|
Reference:
A.T.Gres,
D.Liu,
K.A.Kirby,
S.G.Sarafianos.
X-Ray Crystal Structures of P38A, P38A/T216I, E45A, and E45A/R132T Reveal the Structural Mechanism of Hiv-1 Capsid Stability To Be Published.
Page generated: Fri Jul 26 22:27:51 2024
|