Chlorine in PDB 2hwe: A Comparison of the Anti-Rhinoviral Drug Binding Pocket in HRV14 and HRV1A

The structure of A Comparison of the Anti-Rhinoviral Drug Binding Pocket in HRV14 and HRV1A, PDB code: 2hwe was solved by K.H.Kim, M.G.Rossmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	N/A / 3.80
Space group	P 63 2 2 1
Cell size a, b, c (Å), α, β, γ (°)	341.300, 341.300, 465.900, 90.00, 90.00, 120.00
R / Rfree (%)	n/a / n/a

The binding sites of Chlorine atom in the A Comparison of the Anti-Rhinoviral Drug Binding Pocket in HRV14 and HRV1A (pdb code 2hwe). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the A Comparison of the Anti-Rhinoviral Drug Binding Pocket in HRV14 and HRV1A, PDB code: 2hwe:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the A Comparison of the Anti-Rhinoviral Drug Binding Pocket in HRV14 and HRV1A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of A Comparison of the Anti-Rhinoviral Drug Binding Pocket in HRV14 and HRV1A within 5.0Å range: probe atom residue distance (Å) B Occ 1:Cl500 b:0.0 occ:1.00 CL1 1:W54500 0.0 0.0 1.0 C2B 1:W54500 1.7 0.0 1.0 C3B 1:W54500 2.7 0.0 1.0 C1B 1:W54500 2.7 0.0 1.0 O1B 1:W54500 3.1 0.0 1.0 CG2 1:ILE125 3.5 0.0 1.0 C5C 1:W54500 3.5 0.0 1.0 CD1 1:ILE125 3.6 0.0 1.0 CG2 1:ILE239 3.8 0.0 1.0 C4B 1:W54500 4.0 0.0 1.0 C6B 1:W54500 4.0 0.0 1.0 CG1 1:ILE125 4.0 0.0 1.0 CB 1:ILE125 4.4 0.0 1.0 CB 1:HIS241 4.4 0.0 1.0 CD2 1:HIS241 4.5 0.0 1.0 C5B 1:W54500 4.5 0.0 1.0 O 1:TYR240 4.6 0.0 1.0 CG 1:HIS241 4.8 0.0 1.0 CG2 1:VAL77 4.8 0.0 1.0 C4C 1:W54500 5.0 0.0 1.0

Chlorine binding site 2 out of 2 in the A Comparison of the Anti-Rhinoviral Drug Binding Pocket in HRV14 and HRV1A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of A Comparison of the Anti-Rhinoviral Drug Binding Pocket in HRV14 and HRV1A within 5.0Å range: probe atom residue distance (Å) B Occ 1:Cl500 b:0.0 occ:1.00 CL2 1:W54500 0.0 0.0 1.0 C6B 1:W54500 1.7 0.0 1.0 C5B 1:W54500 2.7 0.0 1.0 C1B 1:W54500 2.7 0.0 1.0 O1B 1:W54500 2.8 0.0 1.0 CE1 1:TYR147 3.4 0.0 1.0 C5C 1:W54500 3.6 0.0 1.0 C4C 1:W54500 3.7 0.0 1.0 CD1 1:TYR147 3.9 0.0 1.0 CD1 1:ILE184 3.9 0.0 1.0 CD1 1:LEU187 3.9 0.0 1.0 C4B 1:W54500 4.0 0.0 1.0 C2B 1:W54500 4.0 0.0 1.0 CZ 1:TYR147 4.2 0.0 1.0 OH 1:TYR147 4.5 0.0 1.0 C3B 1:W54500 4.5 0.0 1.0 CD1 1:ILE125 4.6 0.0 1.0 CG2 1:ILE101 4.7 0.0 1.0 CG 1:TYR147 4.9 0.0 1.0

K.H.Kim, P.Willingmann, Z.X.Gong, M.J.Kremer, M.S.Chapman, I.Minor, M.A.Oliveira, M.G.Rossmann, K.Andries, G.D.Diana, F.J.Dutko, M.A.Mckinlay, D.C.Pevear. A Comparison of the Anti-Rhinoviral Drug Binding Pocket in HRV14 and HRV1A. J.Mol.Biol. V. 230 206 1993.
ISSN: ISSN 0022-2836
PubMed: 8383771
DOI: 10.1006/JMBI.1993.1137