Chlorine in PDB 1gzl: Crystal Structure of C14LINKMID/IQN17: A Cross-Linked Inhibitor of Hiv-1 Entry Bound to the GP41 Hydrophobic Pocket

The structure of Crystal Structure of C14LINKMID/IQN17: A Cross-Linked Inhibitor of Hiv-1 Entry Bound to the GP41 Hydrophobic Pocket, PDB code: 1gzl was solved by S.K.Sia, P.A.Carr, A.G.Cochran, V.M.Malashkevich, P.S.Kim, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.58 / 1.80
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	38.358, 38.358, 169.695, 90.00, 90.00, 120.00
R / Rfree (%)	20.8 / 24.3

The binding sites of Chlorine atom in the Crystal Structure of C14LINKMID/IQN17: A Cross-Linked Inhibitor of Hiv-1 Entry Bound to the GP41 Hydrophobic Pocket (pdb code 1gzl). 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 C14LINKMID/IQN17: A Cross-Linked Inhibitor of Hiv-1 Entry Bound to the GP41 Hydrophobic Pocket, PDB code: 1gzl:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of C14LINKMID/IQN17: A Cross-Linked Inhibitor of Hiv-1 Entry Bound to the GP41 Hydrophobic Pocket


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 C14LINKMID/IQN17: A Cross-Linked Inhibitor of Hiv-1 Entry Bound to the GP41 Hydrophobic Pocket within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1046 b:38.3 occ:0.50 NE2 A:GLN16 2.9 21.9 1.0 CG A:GLN16 3.7 22.3 1.0 CD1 A:ILE19 3.7 20.7 1.0 CD A:GLN16 3.8 23.3 1.0 CB A:GLN16 4.2 20.5 1.0 CA A:GLN16 4.5 19.2 1.0 OE1 A:GLN16 4.9 25.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of C14LINKMID/IQN17: A Cross-Linked Inhibitor of Hiv-1 Entry Bound to the GP41 Hydrophobic Pocket


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 C14LINKMID/IQN17: A Cross-Linked Inhibitor of Hiv-1 Entry Bound to the GP41 Hydrophobic Pocket within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1046 b:36.6 occ:0.50 CD1 B:ILE19 3.6 17.3 1.0 NE2 B:GLN16 4.0 26.1 1.0 CG B:GLN16 4.0 23.2 1.0 CB B:GLN16 4.2 19.5 1.0 CA B:GLN16 4.3 20.6 1.0 CD B:GLN16 4.5 24.4 1.0 CG1 B:ILE19 4.9 17.8 1.0

S.K.Sia, P.A.Carr, A.G.Cochran, V.M.Malashkevich, P.S.Kim. Short Constrained Peptides That Inhibit Hiv-1 Entry Proc.Natl.Acad.Sci.Usa V. 99 14664 2002.
ISSN: ISSN 0027-8424
PubMed: 12417739
DOI: 10.1073/PNAS.232566599