Chlorine in PDB 6b2i: E45A Mutant of the Hiv-1 Capsid Protein

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

The structure of E45A Mutant of the Hiv-1 Capsid Protein also contains other interesting chemical elements:

Iodine

(I)

3 atoms

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 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 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 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 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 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 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 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 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 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 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

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.