Chlorine in PDB 6b2k: E45A/R132T Mutant of Hiv-1 Capsid Protein

The structure of E45A/R132T Mutant of Hiv-1 Capsid Protein, PDB code: 6b2k 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)	47.00 / 2.00
Space group	P 6
Cell size a, b, c (Å), α, β, γ (°)	92.431, 92.431, 57.702, 90.00, 90.00, 120.00
R / Rfree (%)	19.7 / 21.8

The structure of E45A/R132T Mutant of Hiv-1 Capsid Protein also contains other interesting chemical elements:

Iodine

(I)

8 atoms

The binding sites of Chlorine atom in the E45A/R132T Mutant of Hiv-1 Capsid Protein (pdb code 6b2k). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the E45A/R132T Mutant of Hiv-1 Capsid Protein, PDB code: 6b2k:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in the E45A/R132T Mutant of 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/R132T Mutant of Hiv-1 Capsid Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl309 b:59.2 occ:0.94 N A:GLU128 3.3 48.0 1.0 CA A:PRO125 3.4 51.9 1.0 N A:GLY127 3.4 45.2 1.0 CE A:MET118 3.4 61.9 1.0 C A:PRO125 3.4 47.8 1.0 CB A:PRO125 3.5 54.2 1.0 CA A:GLY127 3.7 45.9 1.0 O A:HOH506 3.7 63.6 1.0 CG A:MET118 3.7 57.8 1.0 O A:PRO125 3.7 46.5 1.0 CG A:GLU128 3.8 59.6 1.0 N A:VAL126 3.9 46.4 1.0 C A:GLY127 4.0 46.4 1.0 SD A:MET118 4.0 58.7 1.0 CB A:GLU128 4.2 53.5 1.0 CA A:GLU128 4.4 48.7 1.0 C A:VAL126 4.4 44.8 1.0 CB A:MET118 4.5 60.9 1.0 O A:ALA47 4.7 49.4 1.0 CA A:VAL126 4.7 46.3 1.0 OE2 A:GLU128 4.8 64.8 1.0 N A:PRO125 4.8 53.6 1.0 CD A:GLU128 4.8 62.5 1.0 O A:HOH513 4.9 58.8 1.0 CG A:PRO125 5.0 56.6 1.0

Chlorine binding site 2 out of 7 in the E45A/R132T Mutant of 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/R132T Mutant of Hiv-1 Capsid Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl310 b:76.0 occ:1.00 O A:HOH542 3.9 62.8 1.0 O A:HOH437 4.0 63.6 1.0 CG2 A:ILE124 4.2 60.4 1.0 CH2 A:TRP80 4.2 51.5 1.0 CD A:PRO125 4.4 57.3 1.0 CD1 A:ILE129 4.5 54.5 1.0 CG1 A:ILE124 4.6 69.5 1.0 CA A:ILE124 4.6 60.6 1.0 CB A:ILE124 4.7 62.4 1.0

Chlorine binding site 3 out of 7 in the E45A/R132T Mutant of 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/R132T Mutant of Hiv-1 Capsid Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl311 b:71.1 occ:1.00 O A:HOH450 2.9 49.1 1.0 NH2 A:ARG173 3.5 41.1 1.0 CG A:PRO38 3.7 43.5 1.0 CD A:PRO38 4.3 41.1 1.0 NE A:ARG173 4.4 38.9 1.0 CZ A:ARG173 4.4 40.3 1.0 CB A:PRO38 4.8 41.3 1.0 I A:IOD303 5.0 58.9 0.5

Chlorine binding site 4 out of 7 in the E45A/R132T Mutant of 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/R132T Mutant of Hiv-1 Capsid Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl312 b:91.4 occ:1.00 N A:PHE32 2.9 56.2 1.0 CA A:PHE32 3.4 53.5 1.0 C A:PHE32 3.5 51.6 1.0 CB A:ALA31 3.5 59.1 1.0 CB A:PHE32 3.6 53.5 1.0 O A:PHE32 3.6 53.9 1.0 CB A:TYR145 3.9 59.3 1.0 C A:ALA31 4.0 57.5 1.0 N A:SER33 4.0 48.7 1.0 CD2 A:TYR145 4.1 74.2 1.0 CD2 A:PHE32 4.2 53.0 1.0 O A:HOH426 4.3 42.9 1.0 CG A:PHE32 4.4 52.7 1.0 CA A:ALA31 4.4 56.8 1.0 O A:LYS30 4.5 49.8 1.0 CG A:TYR145 4.5 65.6 1.0 O A:TYR145 4.8 51.5 1.0

Chlorine binding site 5 out of 7 in the E45A/R132T Mutant of 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/R132T Mutant of Hiv-1 Capsid Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl313 b:44.4 occ:0.69 O A:GLY60 2.8 45.9 1.0 O A:HOH472 3.1 45.4 1.0 CD2 A:HIS62 3.4 44.2 1.0 NE2 A:HIS62 3.7 48.6 1.0 CG A:GLU28 4.0 58.3 1.0 C A:GLY60 4.0 45.5 1.0 CG1 A:VAL27 4.0 49.2 1.0 CA A:GLU28 4.3 51.3 1.0 N A:GLU28 4.3 45.5 1.0 CG1 A:VAL59 4.4 41.8 1.0 O A:HOH404 4.4 53.6 1.0 N A:GLY60 4.4 41.5 1.0 O A:HOH451 4.5 50.8 1.0 C A:VAL27 4.5 44.0 1.0 O A:VAL27 4.6 48.1 1.0 CG A:HIS62 4.7 41.6 1.0 CB A:GLU28 4.7 54.5 1.0 CB A:VAL27 4.7 45.5 1.0 CA A:GLY60 4.8 42.8 1.0 N A:GLY61 4.9 45.7 1.0 CA A:GLY61 5.0 45.9 1.0 CE1 A:HIS62 5.0 47.5 1.0

Chlorine binding site 6 out of 7 in the E45A/R132T Mutant of 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/R132T Mutant of Hiv-1 Capsid Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl314 b:59.5 occ:0.79 O A:HOH521 3.0 61.5 1.0 NH1 A:ARG167 3.2 48.5 1.0 CD A:ARG167 3.7 44.5 1.0 CD1 A:ILE153 3.7 48.2 1.0 CB A:ARG167 4.1 39.1 1.0 CG A:ARG167 4.1 42.5 1.0 O A:HOH533 4.1 56.5 1.0 CZ A:ARG167 4.2 47.2 1.0 NE A:ARG167 4.4 44.9 1.0 OG1 A:THR171 4.7 43.6 1.0 CG2 A:THR148 4.7 72.9 1.0 O A:HOH447 5.0 45.1 1.0 CA A:ARG167 5.0 38.0 1.0

Chlorine binding site 7 out of 7 in the E45A/R132T Mutant of 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/R132T Mutant of Hiv-1 Capsid Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl315 b:55.0 occ:0.80 O A:HOH460 3.1 45.6 1.0 ND2 A:ASN57 3.1 40.3 1.0 CB A:ASN57 4.0 35.6 1.0 CA A:THR54 4.0 41.1 1.0 CG A:ASN57 4.0 39.7 1.0 N A:THR54 4.1 39.3 1.0 O A:ASN53 4.2 37.2 1.0 C A:ASN53 4.3 37.9 1.0 OG1 A:THR54 4.3 48.2 1.0 CB A:ASN53 4.7 38.8 1.0 CB A:THR54 4.8 45.4 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.