Chlorine in PDB 6b2j: E45A Mutant of Hiv-1 Capsid Protein (Other Crystal Form)

The structure of E45A Mutant of Hiv-1 Capsid Protein (Other Crystal Form), PDB code: 6b2j 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 / 2.21
Space group	P 6
Cell size a, b, c (Å), α, β, γ (°)	92.493, 92.493, 57.748, 90.00, 90.00, 120.00
R / Rfree (%)	20.2 / 22.3

The structure of E45A Mutant of Hiv-1 Capsid Protein (Other Crystal Form) also contains other interesting chemical elements:

Iodine

(I)

10 atoms

The binding sites of Chlorine atom in the E45A Mutant of Hiv-1 Capsid Protein (Other Crystal Form) (pdb code 6b2j). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the E45A Mutant of Hiv-1 Capsid Protein (Other Crystal Form), PDB code: 6b2j:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the E45A Mutant of Hiv-1 Capsid Protein (Other Crystal Form)


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 Hiv-1 Capsid Protein (Other Crystal Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl311 b:63.6 occ:1.00 O A:GLY60 2.8 55.7 1.0 CD2 A:HIS62 3.4 54.5 1.0 NE2 A:HIS62 3.7 58.2 1.0 CG A:GLU28 3.9 64.9 1.0 CG1 A:VAL27 4.0 52.1 1.0 C A:GLY60 4.0 50.8 1.0 CA A:GLU28 4.2 56.6 1.0 CG1 A:VAL59 4.3 49.0 1.0 N A:GLU28 4.3 51.0 1.0 C A:VAL27 4.6 48.9 1.0 N A:GLY60 4.6 46.4 1.0 CG A:HIS62 4.6 52.9 1.0 O A:VAL27 4.7 49.2 1.0 CB A:GLU28 4.7 61.0 1.0 CB A:VAL27 4.8 50.2 1.0 CA A:GLY60 4.9 48.6 1.0 CE1 A:HIS62 5.0 59.5 1.0 N A:GLY61 5.0 52.0 1.0 CA A:GLY61 5.0 51.7 1.0

Chlorine binding site 2 out of 4 in the E45A Mutant of Hiv-1 Capsid Protein (Other Crystal Form)


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 Hiv-1 Capsid Protein (Other Crystal Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl312 b:79.6 occ:1.00 O A:HOH442 3.0 50.5 1.0 O A:HOH452 3.3 59.9 1.0 O A:HOH488 3.3 75.3 1.0 NH2 A:ARG173 3.4 44.2 1.0 CG A:PRO38 4.0 51.1 1.0 O A:HOH441 4.0 66.0 1.0 NE A:ARG173 4.2 45.3 1.0 CZ A:ARG173 4.2 44.4 1.0 CD A:PRO38 4.2 49.1 1.0 CB A:PRO38 4.6 49.1 1.0 I A:IOD303 5.0 63.8 0.5

Chlorine binding site 3 out of 4 in the E45A Mutant of Hiv-1 Capsid Protein (Other Crystal Form)


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 Hiv-1 Capsid Protein (Other Crystal Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl313 b:94.5 occ:1.00 OE2 A:GLU98 3.2 94.0 1.0 CZ2 A:TRP80 3.8 65.0 1.0 CH2 A:TRP80 4.0 65.7 1.0 CD2 A:HIS84 4.1 74.0 1.0 CD A:GLU98 4.1 90.9 1.0 CG A:GLU98 4.2 85.9 1.0 CD A:PRO99 4.5 69.6 1.0 I A:IOD307 4.6 0.1 0.7 NE2 A:HIS84 4.6 74.4 1.0 CG A:HIS84 4.7 70.3 1.0 CG A:PRO99 4.7 66.7 1.0 CG2 A:ILE124 4.8 63.9 1.0 CE2 A:TRP80 5.0 61.0 1.0

Chlorine binding site 4 out of 4 in the E45A Mutant of Hiv-1 Capsid Protein (Other Crystal Form)


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 Hiv-1 Capsid Protein (Other Crystal Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl314 b:75.3 occ:1.00 O A:HOH449 2.9 53.1 1.0 ND2 A:ASN57 3.0 47.4 1.0 CG A:ASN57 4.0 46.6 1.0 CA A:THR54 4.0 47.7 1.0 CB A:ASN57 4.1 43.6 1.0 N A:THR54 4.2 44.9 1.0 O A:ASN53 4.3 41.0 1.0 OG1 A:THR54 4.3 51.8 1.0 C A:ASN53 4.3 44.0 1.0 CB A:ASN53 4.7 45.0 1.0 CB A:THR54 4.7 51.0 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.