Chlorine in PDB 6axv: Structure of the T58S/T107I/P122A Mutant of the Hiv-1 Capsid Protein in Complex with Pf-3450074 (PF74)

Protein crystallography data

The structure of Structure of the T58S/T107I/P122A Mutant of the Hiv-1 Capsid Protein in Complex with Pf-3450074 (PF74), PDB code: 6axv 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) 46.50 / 2.77
Space group P 6
Cell size a, b, c (Å), α, β, γ (°) 92.998, 92.998, 57.631, 90.00, 90.00, 120.00
R / Rfree (%) 22.8 / 27.9

Other elements in 6axv:

The structure of Structure of the T58S/T107I/P122A Mutant of the Hiv-1 Capsid Protein in Complex with Pf-3450074 (PF74) also contains other interesting chemical elements:

Iodine (I) 5 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of the T58S/T107I/P122A Mutant of the Hiv-1 Capsid Protein in Complex with Pf-3450074 (PF74) (pdb code 6axv). 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 T58S/T107I/P122A Mutant of the Hiv-1 Capsid Protein in Complex with Pf-3450074 (PF74), PDB code: 6axv:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 6axv

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Chlorine binding site 1 out of 9 in the Structure of the T58S/T107I/P122A Mutant of the Hiv-1 Capsid Protein in Complex with Pf-3450074 (PF74)


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 T58S/T107I/P122A Mutant of the Hiv-1 Capsid Protein in Complex with Pf-3450074 (PF74) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl306

b:72.7
occ:1.00
 NH2 A:ARG173 4.1 41.3 1.0
CG A:PRO38 4.1 67.0 1.0
NE A:ARG173 4.5 39.5 1.0
CD A:PRO38 4.7 69.0 1.0
CZ A:ARG173 4.8 41.6 1.0

Chlorine binding site 2 out of 9 in 6axv

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Chlorine binding site 2 out of 9 in the Structure of the T58S/T107I/P122A Mutant of the Hiv-1 Capsid Protein in Complex with Pf-3450074 (PF74)


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 T58S/T107I/P122A Mutant of the Hiv-1 Capsid Protein in Complex with Pf-3450074 (PF74) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl307

b:75.0
occ:1.00
 CD A:PRO17 3.5 95.9 1.0
CG A:PRO17 4.0 98.8 1.0
N A:ARG18 4.1 0.8 1.0
CB A:SER16 4.1 75.4 1.0
N A:PRO17 4.2 92.5 1.0
CB A:ARG18 4.3 0.6 1.0
CB A:PRO17 4.3 97.4 1.0
OG A:SER16 4.7 76.1 1.0
CA A:PRO17 4.7 96.6 1.0
CA A:ARG18 4.8 0.4 1.0
CA A:SER16 4.8 78.0 1.0
C A:SER16 4.9 77.3 1.0
C A:PRO17 4.9 0.1 1.0

Chlorine binding site 3 out of 9 in 6axv

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Chlorine binding site 3 out of 9 in the Structure of the T58S/T107I/P122A Mutant of the Hiv-1 Capsid Protein in Complex with Pf-3450074 (PF74)


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 T58S/T107I/P122A Mutant of the Hiv-1 Capsid Protein in Complex with Pf-3450074 (PF74) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl308

b:58.7
occ:1.00
 NE A:ARG18 3.5 0.1 1.0
CD A:ARG18 3.6 0.8 1.0
CG A:ARG18 3.7 0.4 1.0
CZ A:ARG18 4.0 0.1 1.0
CB A:ALA22 4.5 61.0 1.0
NH2 A:ARG18 4.6 0.8 1.0
NH1 A:ARG18 4.6 0.9 1.0
O A:ARG18 4.7 97.6 1.0

Chlorine binding site 4 out of 9 in 6axv

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Chlorine binding site 4 out of 9 in the Structure of the T58S/T107I/P122A Mutant of the Hiv-1 Capsid Protein in Complex with Pf-3450074 (PF74)


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 T58S/T107I/P122A Mutant of the Hiv-1 Capsid Protein in Complex with Pf-3450074 (PF74) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl309

b:86.5
occ:1.00
 CL A:CL312 3.4 81.2 1.0
CD1 A:ILE129 3.9 59.6 1.0
NH1 A:ARG132 4.0 77.8 1.0
CG1 A:ILE129 4.2 58.5 1.0
CZ3 A:TRP80 4.5 51.6 1.0
CZ A:ARG132 4.9 76.7 1.0
NH2 A:ARG132 4.9 77.6 1.0
CH2 A:TRP80 5.0 50.9 1.0

Chlorine binding site 5 out of 9 in 6axv

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Chlorine binding site 5 out of 9 in the Structure of the T58S/T107I/P122A Mutant of the Hiv-1 Capsid Protein in Complex with Pf-3450074 (PF74)


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 T58S/T107I/P122A Mutant of the Hiv-1 Capsid Protein in Complex with Pf-3450074 (PF74) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl310

b:66.6
occ:1.00
 N A:ARG162 3.5 49.4 1.0
CB A:PHE161 3.6 37.6 1.0
O A:CYS218 3.6 81.4 1.0
CA A:GLN219 3.6 81.3 1.0
O A:MET215 3.8 71.7 1.0
CB A:ARG162 4.0 56.3 1.0
N A:PHE161 4.0 53.7 1.0
C A:CYS218 4.1 78.2 1.0
CA A:PHE161 4.1 47.7 1.0
N A:GLN219 4.2 79.2 1.0
O A:GLN219 4.2 82.5 1.0
C A:PHE161 4.2 51.6 1.0
CA A:ARG162 4.2 51.1 1.0
C A:GLN219 4.4 83.4 1.0
CD2 A:PHE161 4.5 32.5 1.0
CB A:GLN219 4.5 78.9 1.0
CG A:PHE161 4.5 31.8 1.0
CG A:GLN219 4.6 78.1 1.0
C A:MET215 4.8 69.4 1.0
CA A:MET215 4.9 65.6 1.0
C A:PRO160 5.0 56.1 1.0

Chlorine binding site 6 out of 9 in 6axv

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Chlorine binding site 6 out of 9 in the Structure of the T58S/T107I/P122A Mutant of the Hiv-1 Capsid Protein in Complex with Pf-3450074 (PF74)


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 T58S/T107I/P122A Mutant of the Hiv-1 Capsid Protein in Complex with Pf-3450074 (PF74) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl311

b:68.2
occ:1.00
 CA A:ALA177 3.6 64.1 1.0
N A:SER178 3.7 62.1 1.0
O A:GLN176 4.0 73.8 1.0
C A:ALA177 4.1 62.9 1.0
CB A:ALA177 4.3 60.1 1.0
N A:ALA177 4.5 67.3 1.0
OG A:SER178 4.5 66.0 1.0
CG2 A:VAL181 4.6 31.5 1.0
C A:GLN176 4.6 71.4 1.0
CB A:SER178 4.7 66.0 1.0
CA A:SER178 4.8 64.3 1.0

Chlorine binding site 7 out of 9 in 6axv

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Chlorine binding site 7 out of 9 in the Structure of the T58S/T107I/P122A Mutant of the Hiv-1 Capsid Protein in Complex with Pf-3450074 (PF74)


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 T58S/T107I/P122A Mutant of the Hiv-1 Capsid Protein in Complex with Pf-3450074 (PF74) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl312

b:81.2
occ:1.00
 CL A:CL309 3.4 86.5 1.0
CD A:PRO125 3.9 84.6 1.0
CG2 A:ILE124 4.1 0.1 1.0
CA A:ILE124 4.4 96.9 1.0
CG1 A:ILE124 4.6 0.3 1.0
CD1 A:ILE129 4.6 59.6 1.0
CB A:ILE124 4.6 0.9 1.0
CG A:PRO125 4.7 85.6 1.0
O A:PRO123 4.8 0.3 1.0
N A:PRO125 4.9 82.9 1.0
CH2 A:TRP80 5.0 50.9 1.0

Chlorine binding site 8 out of 9 in 6axv

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Chlorine binding site 8 out of 9 in the Structure of the T58S/T107I/P122A Mutant of the Hiv-1 Capsid Protein in Complex with Pf-3450074 (PF74)


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 T58S/T107I/P122A Mutant of the Hiv-1 Capsid Protein in Complex with Pf-3450074 (PF74) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl313

b:94.4
occ:1.00
 NE A:ARG167 3.6 58.0 1.0
CD1 A:ILE153 3.8 47.7 1.0
O A:HOH416 3.9 40.2 1.0
CB A:ARG167 4.0 46.3 1.0
CG A:ARG167 4.1 47.0 1.0
OG1 A:THR171 4.2 56.3 1.0
NH2 A:ARG167 4.4 55.7 1.0
CD A:ARG167 4.4 51.4 1.0
CG2 A:THR148 4.5 84.0 1.0
CZ A:ARG167 4.5 56.5 1.0
CA A:ARG167 4.6 47.6 1.0
CE A:LYS170 4.7 53.3 1.0
OG1 A:THR148 4.8 86.5 1.0
O A:ARG167 4.8 50.7 1.0
NZ A:LYS170 4.9 58.7 1.0

Chlorine binding site 9 out of 9 in 6axv

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Chlorine binding site 9 out of 9 in the Structure of the T58S/T107I/P122A Mutant of the Hiv-1 Capsid Protein in Complex with Pf-3450074 (PF74)


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 T58S/T107I/P122A Mutant of the Hiv-1 Capsid Protein in Complex with Pf-3450074 (PF74) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl314

b:0.7
occ:1.00
 N A:PHE32 3.2 77.5 1.0
CB A:ALA31 3.6 82.6 1.0
CB A:PHE32 3.6 67.2 1.0
CA A:PHE32 3.7 68.4 1.0
O A:PHE32 3.7 57.7 1.0
C A:PHE32 3.7 60.9 1.0
CB A:TYR145 3.8 73.3 1.0
O A:HOH401 4.0 33.4 1.0
CD2 A:TYR145 4.2 69.6 1.0
C A:ALA31 4.3 80.7 1.0
N A:SER33 4.4 58.2 1.0
CG A:TYR145 4.5 73.1 1.0
O A:TYR145 4.5 77.7 1.0
CD2 A:PHE32 4.5 60.5 1.0
CG A:PHE32 4.6 63.5 1.0
CA A:ALA31 4.6 79.5 1.0
O A:LYS30 4.9 82.0 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: Sat Dec 12 12:44:49 2020

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