Chlorine in PDB 3h6c: Crystal Structure of Human Alpha-Defensin 1 (Mutant GLN22ALA)

The structure of Crystal Structure of Human Alpha-Defensin 1 (Mutant GLN22ALA), PDB code: 3h6c was solved by M.Pazgier, W.Lu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.63
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	46.521, 48.354, 24.700, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 19.9

The binding sites of Chlorine atom in the Crystal Structure of Human Alpha-Defensin 1 (Mutant GLN22ALA) (pdb code 3h6c). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Human Alpha-Defensin 1 (Mutant GLN22ALA), PDB code: 3h6c:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Human Alpha-Defensin 1 (Mutant GLN22ALA)


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 Human Alpha-Defensin 1 (Mutant GLN22ALA) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl32 b:54.3 occ:0.50 NH1 A:ARG14 3.3 23.3 1.0 CD A:ARG14 3.5 22.8 1.0 CG A:ARG14 3.9 21.3 1.0 CZ A:ARG14 4.3 23.1 1.0 NE A:ARG14 4.3 23.3 1.0 O A:HOH36 4.7 36.5 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Human Alpha-Defensin 1 (Mutant GLN22ALA)


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 Human Alpha-Defensin 1 (Mutant GLN22ALA) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl32 b:16.2 occ:0.50 O B:HOH39 2.9 12.5 1.0 O B:HOH36 3.2 10.2 1.0 CG B:ARG24 4.0 12.7 1.0 O B:GLY23 4.7 16.3 1.0 CB B:ARG24 4.7 10.1 1.0 CA B:ARG24 4.8 11.4 1.0 CD B:ARG24 4.9 11.9 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Human Alpha-Defensin 1 (Mutant GLN22ALA)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Human Alpha-Defensin 1 (Mutant GLN22ALA) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl33 b:64.1 occ:1.00 O B:HOH40 2.7 36.5 1.0 O B:PRO7 3.3 19.5 1.0 NH1 B:ARG15 3.9 20.9 1.0 N B:ALA27 3.9 13.3 1.0 NH2 B:ARG15 4.1 19.1 1.0 C B:PRO7 4.2 17.0 1.0 C B:TRP26 4.2 13.2 1.0 CZ B:ARG15 4.4 20.1 1.0 O B:LEU25 4.5 13.0 1.0 CA B:PRO7 4.5 17.6 1.0 CA B:TRP26 4.5 11.9 1.0 CA B:ALA27 4.6 13.8 1.0 CB B:ALA27 4.6 12.3 1.0 O B:TRP26 4.7 13.8 1.0 C B:LEU25 4.8 13.0 1.0 N B:TRP26 4.8 12.9 1.0 O B:ARG5 4.9 14.4 1.0

G.Wei, M.Pazgier, E.De Leeuw, M.Rajabi, J.Li, G.Zou, G.Jung, W.Yuan, W.Y.Lu, R.I.Lehrer, W.Lu. Trp-26 Imparts Functional Versatility to Human Alpha-Defensin HNP1. J.Biol.Chem. V. 285 16275 2010.
ISSN: ISSN 0021-9258
PubMed: 20220136
DOI: 10.1074/JBC.M110.102749