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Chlorine in PDB 6axx: Structure of the T58A/I124A Mutant of the Hiv-1 Capsid Protein

Protein crystallography data

The structure of Structure of the T58A/I124A Mutant of the Hiv-1 Capsid Protein, PDB code: 6axx 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) 45.80 / 2.60
Space group P 6
Cell size a, b, c (Å), α, β, γ (°) 91.646, 91.646, 57.695, 90.00, 90.00, 120.00
R / Rfree (%) 19 / 24.7

Other elements in 6axx:

The structure of Structure of the T58A/I124A Mutant of the Hiv-1 Capsid Protein also contains other interesting chemical elements:

Iodine (I) 8 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of the T58A/I124A Mutant of the Hiv-1 Capsid Protein (pdb code 6axx). 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 T58A/I124A Mutant of the Hiv-1 Capsid Protein, PDB code: 6axx:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 6axx

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Chlorine binding site 1 out of 9 in the Structure of the 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 T58A/I124A Mutant of the Hiv-1 Capsid Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl309

b:53.6
occ:1.00
 O A:GLY60 2.7 63.1 1.0
CD2 A:HIS62 3.4 63.2 1.0
NE2 A:HIS62 3.6 64.8 1.0
O A:HOH432 3.8 60.0 1.0
C A:GLY60 3.9 58.7 1.0
CG A:GLU28 4.2 83.8 1.0
CA A:GLU28 4.2 77.0 1.0
N A:GLU28 4.3 72.1 1.0
CG1 A:VAL27 4.3 66.5 1.0
O A:VAL27 4.4 66.3 1.0
CG1 A:VAL59 4.4 50.7 1.0
C A:VAL27 4.4 68.8 1.0
N A:GLY60 4.5 55.5 1.0
CG A:HIS62 4.6 62.0 1.0
CA A:GLY61 4.7 58.4 1.0
N A:GLY61 4.8 57.7 1.0
CB A:GLU28 4.8 80.7 1.0
CE1 A:HIS62 4.8 66.2 1.0
CA A:GLY60 4.8 56.7 1.0
C A:GLY61 4.8 57.5 1.0
CB A:VAL27 4.9 65.5 1.0

Chlorine binding site 2 out of 9 in 6axx

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Chlorine binding site 2 out of 9 in the Structure of the 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 T58A/I124A Mutant of the Hiv-1 Capsid Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl310

b:0.2
occ:1.00
 O A:HOH403 2.9 76.3 1.0
CD1 A:ILE129 4.0 63.2 1.0
CG1 A:ILE129 4.1 62.6 1.0
NH2 A:ARG132 4.3 80.1 1.0
CZ3 A:TRP80 4.4 70.5 1.0
NH1 A:ARG132 4.4 83.5 1.0
CH2 A:TRP80 4.4 71.0 1.0
CZ A:ARG132 4.8 80.9 1.0
CG A:PRO125 4.9 74.6 1.0
CD A:PRO125 5.0 72.7 1.0

Chlorine binding site 3 out of 9 in 6axx

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Chlorine binding site 3 out of 9 in the Structure of the 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 T58A/I124A Mutant of the Hiv-1 Capsid Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl311

b:68.7
occ:0.94
 O A:HOH407 2.8 45.1 1.0
NH2 A:ARG173 3.8 65.9 1.0
CG A:PRO38 4.3 68.6 1.0
CD A:PRO38 4.3 66.8 1.0
NE A:ARG173 4.5 61.1 1.0
CB A:PRO38 4.6 68.9 1.0
CZ A:ARG173 4.6 62.9 1.0
I A:IOD304 4.9 79.8 0.6

Chlorine binding site 4 out of 9 in 6axx

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Chlorine binding site 4 out of 9 in the Structure of the 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 T58A/I124A Mutant of the Hiv-1 Capsid Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl312

b:76.7
occ:0.94
 O A:HOH414 2.8 45.9 1.0
CA A:GLY61 3.6 58.4 1.0
N A:HIS62 4.0 57.6 1.0
C A:GLY61 4.3 57.5 1.0
N A:GLY61 4.7 57.7 1.0

Chlorine binding site 5 out of 9 in 6axx

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Chlorine binding site 5 out of 9 in the Structure of the 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 T58A/I124A Mutant of the Hiv-1 Capsid Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl313

b:70.7
occ:1.00
 N A:ARG97 3.2 78.9 1.0
CD A:ARG97 3.7 74.5 1.0
CG A:ARG97 3.8 74.7 1.0
CB A:ARG97 3.8 77.6 1.0
CA A:MET96 4.0 82.7 1.0
C A:MET96 4.0 80.1 1.0
CA A:ARG97 4.1 79.1 1.0
NE A:ARG97 4.3 72.5 1.0
CE A:MET96 4.4 90.3 1.0
CG2 A:ILE91 4.4 76.0 1.0
O A:GLN95 4.5 82.1 1.0
CG1 A:ILE91 4.6 75.4 1.0
OE2 A:GLU113 4.6 72.7 1.0
SD A:MET96 4.7 94.7 1.0
CB A:ILE91 4.8 77.0 1.0
CB A:MET96 4.8 85.7 1.0

Chlorine binding site 6 out of 9 in 6axx

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Chlorine binding site 6 out of 9 in the Structure of the 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 T58A/I124A Mutant of the Hiv-1 Capsid Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl314

b:71.3
occ:1.00
 O A:HOH421 3.3 46.6 1.0
O A:HOH439 3.7 45.1 1.0
CD1 A:ILE153 3.8 55.6 1.0
CG2 A:THR148 3.9 78.5 1.0
NH2 A:ARG167 4.0 58.4 1.0
O A:ASP152 4.2 67.9 1.0
CB A:THR148 4.7 78.0 1.0
C A:ASP152 4.8 63.9 1.0

Chlorine binding site 7 out of 9 in 6axx

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Chlorine binding site 7 out of 9 in the Structure of the 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 T58A/I124A Mutant of the Hiv-1 Capsid Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl315

b:90.4
occ:1.00
 CE A:LYS199 3.9 76.7 1.0
CG A:LYS203 4.0 76.8 1.0
CD A:LYS203 4.1 81.1 1.0
CA A:GLN192 4.2 71.3 1.0
CG1 A:VAL191 4.3 67.2 1.0
N A:GLN192 4.4 66.9 1.0
CG A:GLN192 4.4 83.2 1.0
NZ A:LYS199 4.4 80.5 1.0
CB A:GLN192 4.5 77.6 1.0
C A:VAL191 4.7 65.1 1.0
CB A:VAL191 4.9 66.1 1.0
O A:VAL191 5.0 64.6 1.0

Chlorine binding site 8 out of 9 in 6axx

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Chlorine binding site 8 out of 9 in the Structure of the 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 T58A/I124A Mutant of the Hiv-1 Capsid Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl316

b:86.8
occ:1.00
 CD A:PRO17 3.7 85.0 1.0
CB A:ARG18 4.0 87.0 1.0
NH2 A:ARG18 4.2 0.3 1.0
N A:ARG18 4.2 80.1 1.0
CG A:PRO17 4.3 87.0 1.0
NE A:ARG18 4.4 0.4 1.0
CZ A:ARG18 4.5 0.4 1.0
CB A:SER16 4.5 78.8 1.0
N A:PRO17 4.6 81.3 1.0
CA A:ARG18 4.8 80.8 1.0
OG A:SER16 4.8 79.4 1.0
CB A:PRO17 4.8 84.9 1.0

Chlorine binding site 9 out of 9 in 6axx

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Chlorine binding site 9 out of 9 in the Structure of the 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 T58A/I124A Mutant of the Hiv-1 Capsid Protein within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl317

b:98.0
occ:1.00
 O A:HOH417 2.7 55.3 1.0
CD2 A:TYR145 3.6 66.0 1.0
CB A:ALA31 3.6 75.1 1.0
CE2 A:TYR145 4.2 66.3 1.0
CG A:TYR145 4.4 65.8 1.0
CB A:TYR145 4.5 64.7 1.0
N A:PHE32 4.5 69.6 1.0
CD2 A:PHE32 4.6 65.8 1.0
CA A:ALA31 4.9 74.3 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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