Chlorine in PDB 3lo6: Crystal Structure of Human Alpha-Defensin 1 (W26ABA Mutant)

The structure of Crystal Structure of Human Alpha-Defensin 1 (W26ABA Mutant), PDB code: 3lo6 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 / 1.56
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	45.600, 31.024, 39.726, 90.00, 90.00, 90.00
R / Rfree (%)	16.9 / 19.8

The binding sites of Chlorine atom in the Crystal Structure of Human Alpha-Defensin 1 (W26ABA Mutant) (pdb code 3lo6). 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 Human Alpha-Defensin 1 (W26ABA Mutant), PDB code: 3lo6:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Human Alpha-Defensin 1 (W26ABA Mutant)


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 (W26ABA Mutant) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl32 b:60.3 occ:1.00 O B:PRO7 3.7 14.0 1.0 O B:HOH73 4.2 28.9 1.0 O B:LEU25 4.3 10.6 1.0 O B:HOH68 4.4 31.9 1.0 NH1 B:ARG15 4.5 20.6 1.0 C B:LEU25 4.5 9.4 1.0 C B:ABA26 4.5 9.5 1.0 N B:ALA27 4.5 9.5 1.0 CB B:LEU25 4.5 8.8 1.0 CA B:ABA26 4.7 9.6 1.0 N B:ABA26 4.7 9.1 1.0 NH2 B:ARG15 4.8 16.1 1.0 C B:PRO7 4.8 12.7 1.0 CZ B:ARG15 4.9 17.3 1.0 O B:ABA26 4.9 10.3 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human Alpha-Defensin 1 (W26ABA Mutant)


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 (W26ABA Mutant) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl33 b:21.4 occ:1.00 O B:HOH64 3.0 21.3 1.0 N B:CYS9 3.2 8.7 1.0 SG B:CYS9 3.7 9.9 1.0 CB B:ALA8 3.7 10.3 1.0 CB B:CYS9 3.7 7.9 1.0 CA B:ALA8 4.0 9.6 1.0 CB B:ARG15 4.0 8.2 1.0 CA B:CYS9 4.0 8.6 1.0 C B:ALA8 4.1 8.8 1.0 CD B:ARG15 4.3 10.5 1.0 CB B:ALA27 4.6 9.2 1.0 O B:CYS9 4.6 7.9 1.0 CG B:ARG15 4.7 9.8 1.0 C B:CYS9 4.8 7.9 1.0 O B:HOH49 4.9 18.8 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