Chlorine in PDB 4j93: Crystal Structure of the N-Terminal Domain of Hiv-1 Capsid in Complex with Inhibitor Bi-1

The structure of Crystal Structure of the N-Terminal Domain of Hiv-1 Capsid in Complex with Inhibitor Bi-1, PDB code: 4j93 was solved by C.T.Lemke, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.74 / 1.74
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.779, 42.494, 83.279, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 23.3

The binding sites of Chlorine atom in the Crystal Structure of the N-Terminal Domain of Hiv-1 Capsid in Complex with Inhibitor Bi-1 (pdb code 4j93). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of the N-Terminal Domain of Hiv-1 Capsid in Complex with Inhibitor Bi-1, PDB code: 4j93:

Chlorine binding site 1 out of 1 in the Crystal Structure of the N-Terminal Domain of Hiv-1 Capsid in Complex with Inhibitor Bi-1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the N-Terminal Domain of Hiv-1 Capsid in Complex with Inhibitor Bi-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:20.9 occ:1.00 CL A:0OE201 0.0 20.9 1.0 C8 A:0OE201 1.7 19.1 1.0 C7 A:0OE201 2.7 21.3 1.0 C9 A:0OE201 2.7 22.8 1.0 CB A:HIS120 3.4 21.8 1.0 CG1 A:ILE124 3.5 16.9 1.0 CD1 A:TRP117 3.6 17.0 1.0 CD1 A:ILE124 3.6 22.0 1.0 CG A:HIS120 3.7 21.3 1.0 O A:TRP117 3.7 19.0 1.0 N A:ILE124 3.7 19.2 1.0 CA A:TRP117 3.7 17.1 1.0 O A:PRO122 3.8 20.2 1.0 ND1 A:HIS120 3.8 23.9 1.0 CB A:ILE124 3.9 18.5 1.0 C10 A:0OE201 4.0 21.1 1.0 C6 A:0OE201 4.0 22.7 1.0 CB A:TRP117 4.0 17.4 1.0 CG A:TRP117 4.1 13.1 1.0 C A:TRP117 4.2 16.2 1.0 C A:PRO123 4.2 17.5 1.0 CD2 A:HIS120 4.4 27.4 1.0 CA A:ILE124 4.4 20.5 1.0 CA A:PRO123 4.5 22.2 1.0 C11 A:0OE201 4.5 24.3 1.0 CE1 A:HIS120 4.6 34.1 1.0 NE1 A:TRP117 4.7 19.0 1.0 SD A:MET96 4.8 32.5 1.0 C A:PRO122 4.8 22.4 1.0 CA A:HIS120 4.9 20.6 1.0 N A:TRP117 4.9 18.5 1.0 NE2 A:HIS120 4.9 26.4 1.0 O A:GLY116 4.9 22.1 1.0

L.Lamorte, S.Titolo, C.T.Lemke, N.Goudreau, J.F.Mercier, E.Wardrop, V.B.Shah, U.K.Von Schwedler, C.Langelier, S.S.Banik, C.Aiken, W.I.Sundquist, S.W.Mason. Discovery of Novel Small-Molecule Hiv-1 Replication Inhibitors That Stabilize Capsid Complexes. Antimicrob.Agents Chemother. V. 57 4622 2013.
ISSN: ISSN 0066-4804
PubMed: 23817385
DOI: 10.1128/AAC.00985-13