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Chlorine in PDB 4e5h: Crystal Structure of Avian Influenza Virus Pan Bound to Compound 3

Protein crystallography data

The structure of Crystal Structure of Avian Influenza Virus Pan Bound to Compound 3, PDB code: 4e5h was solved by R.M.Dubois, P.J.Slavish, T.R.Webb, S.W.White, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.05 / 2.16
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 126.101, 134.825, 125.905, 90.00, 90.00, 90.00
R / Rfree (%) 25.6 / 29

Other elements in 4e5h:

The structure of Crystal Structure of Avian Influenza Virus Pan Bound to Compound 3 also contains other interesting chemical elements:

Manganese (Mn) 8 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Avian Influenza Virus Pan Bound to Compound 3 (pdb code 4e5h). 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 Avian Influenza Virus Pan Bound to Compound 3, PDB code: 4e5h:

Chlorine binding site 1 out of 1 in 4e5h

Go back to Chlorine Binding Sites List in 4e5h
Chlorine binding site 1 out of 1 in the Crystal Structure of Avian Influenza Virus Pan Bound to Compound 3


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 Avian Influenza Virus Pan Bound to Compound 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl305

b:0.2
occ:1.00
CL2 D:0N8305 0.0 0.2 1.0
C19 D:0N8305 1.8 99.5 1.0
C20 D:0N8305 2.8 99.1 1.0
C18 D:0N8305 2.8 99.0 1.0
OE2 D:GLU26 3.5 73.5 1.0
CD1 D:ILE38 3.6 41.8 1.0
NZ D:LYS34 3.9 57.0 1.0
C21 D:0N8305 4.1 98.6 1.0
C17 D:0N8305 4.1 98.5 1.0
CE D:LYS34 4.1 55.7 1.0
CD D:LYS34 4.2 53.0 1.0
CG1 D:ILE38 4.3 38.5 1.0
CD D:GLU26 4.4 73.3 1.0
OE1 D:GLU26 4.4 74.9 1.0
C16 D:0N8305 4.6 97.9 1.0
CD1 D:TYR24 4.6 70.7 1.0
CG D:LYS34 4.7 47.9 1.0
CE1 D:TYR24 4.9 71.7 1.0

Reference:

R.M.Dubois, P.J.Slavish, B.M.Baughman, M.K.Yun, J.Bao, R.J.Webby, T.R.Webb, S.W.White. Structural and Biochemical Basis For Development of Influenza Virus Inhibitors Targeting the Pa Endonuclease. Plos Pathog. V. 8 02830 2012.
ISSN: ISSN 1553-7366
PubMed: 22876176
DOI: 10.1371/JOURNAL.PPAT.1002830
Page generated: Fri Jul 11 14:39:15 2025

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