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

Protein crystallography data

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

Chlorine Binding Sites:

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 3h6c

Go back to Chlorine Binding Sites List in 3h6c
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 3h6c

Go back to Chlorine Binding Sites List in 3h6c
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 3h6c

Go back to Chlorine Binding Sites List in 3h6c
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

Reference:

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
Page generated: Fri Jul 11 05:51:36 2025

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