Chlorine in PDB 4e92: Crystal Structure of the N-Terminal Domain of Hiv-1 Capsid in Complex with Inhibitor BM4

The structure of Crystal Structure of the N-Terminal Domain of Hiv-1 Capsid in Complex with Inhibitor BM4, PDB code: 4e92 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)	33.87 / 1.80
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	81.709, 81.709, 90.150, 90.00, 90.00, 90.00
R / Rfree (%)	22 / 26.4

The binding sites of Chlorine atom in the Crystal Structure of the N-Terminal Domain of Hiv-1 Capsid in Complex with Inhibitor BM4 (pdb code 4e92). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the N-Terminal Domain of Hiv-1 Capsid in Complex with Inhibitor BM4, PDB code: 4e92:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the N-Terminal Domain of Hiv-1 Capsid in Complex with Inhibitor BM4


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 BM4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:26.6 occ:1.00 CL A:0OE201 0.0 26.6 1.0 C8 A:0OE201 1.7 27.7 1.0 C9 A:0OE201 2.7 28.8 1.0 C7 A:0OE201 2.7 27.5 1.0 CB A:HIS120 3.4 23.7 1.0 CG1 A:ILE124 3.5 21.7 1.0 CG A:HIS120 3.5 30.8 1.0 CD1 A:ILE124 3.6 21.6 1.0 ND1 A:HIS120 3.6 30.2 1.0 CD1 A:TRP117 3.7 20.9 1.0 O A:PRO122 3.7 24.0 1.0 O A:TRP117 3.7 22.2 1.0 N A:ILE124 3.8 22.4 1.0 CA A:TRP117 3.9 24.5 1.0 CB A:ILE124 4.0 22.2 1.0 C10 A:0OE201 4.0 31.1 1.0 C6 A:0OE201 4.0 27.4 1.0 CB A:TRP117 4.2 20.5 1.0 C A:TRP117 4.3 22.9 1.0 CG A:TRP117 4.3 22.1 1.0 CD2 A:HIS120 4.3 31.5 1.0 C A:PRO123 4.4 24.8 1.0 CE1 A:HIS120 4.4 27.0 1.0 C11 A:0OE201 4.5 31.0 1.0 CA A:ILE124 4.5 22.0 1.0 CA A:PRO123 4.6 23.8 1.0 SD A:MET96 4.7 37.2 1.0 NE2 A:HIS120 4.8 33.6 1.0 NE1 A:TRP117 4.8 24.5 1.0 C A:PRO122 4.8 23.2 1.0 CA A:HIS120 4.9 30.4 1.0 O A:GLY116 5.0 27.7 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the N-Terminal Domain of Hiv-1 Capsid in Complex with Inhibitor BM4


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the N-Terminal Domain of Hiv-1 Capsid in Complex with Inhibitor BM4 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:39.0 occ:1.00 CL B:0OE201 0.0 39.0 1.0 C8 B:0OE201 1.7 51.7 1.0 C9 B:0OE201 2.7 51.0 1.0 C7 B:0OE201 2.7 44.7 1.0 CG1 B:ILE124 3.4 31.2 1.0 CB B:HIS120 3.6 40.5 1.0 CD1 B:ILE124 3.6 30.3 1.0 CG B:HIS120 3.7 48.8 1.0 N B:ILE124 3.7 31.6 1.0 O B:TRP117 3.7 32.7 1.0 O B:PRO122 3.8 31.0 1.0 CD1 B:TRP117 3.8 37.0 1.0 CA B:TRP117 3.9 33.3 1.0 ND1 B:HIS120 3.9 42.9 1.0 CB B:ILE124 4.0 27.6 1.0 C10 B:0OE201 4.0 50.4 1.0 C6 B:0OE201 4.0 49.1 1.0 C B:PRO123 4.2 31.6 1.0 C B:TRP117 4.3 32.2 1.0 CD2 B:HIS120 4.3 48.5 1.0 SD B:MET96 4.4 55.0 1.0 CB B:TRP117 4.4 34.2 1.0 CA B:PRO123 4.5 30.5 1.0 CA B:ILE124 4.5 25.5 1.0 C11 B:0OE201 4.5 54.8 1.0 CG B:TRP117 4.5 32.2 1.0 O B:GLY116 4.6 43.9 1.0 CE1 B:HIS120 4.6 52.6 1.0 C B:PRO122 4.8 31.7 1.0 NE1 B:TRP117 4.8 35.1 1.0 NE2 B:HIS120 4.9 51.2 1.0 O B:PRO123 5.0 27.3 1.0 N B:TRP117 5.0 39.1 1.0

C.T.Lemke, S.Titolo, U.Von Schwedler, N.Goudreau, J.F.Mercier, E.Wardrop, A.M.Faucher, R.Coulombe, S.S.Banik, L.Fader, A.Gagnon, S.H.Kawai, J.Rancourt, M.Tremblay, C.Yoakim, B.Simoneau, J.Archambault, W.I.Sundquist, S.W.Mason. Distinct Effects of Two Hiv-1 Capsid Assembly Inhibitor Families That Bind the Same Site Within the N-Terminal Domain of the Viral Ca Protein. J.Virol. V. 86 6643 2012.
ISSN: ISSN 0022-538X
PubMed: 22496222
DOI: 10.1128/JVI.00493-12