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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:

Iodine (I) 7 atoms

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

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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 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 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 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 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 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

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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 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

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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

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