Chlorine in PDB 4lbb: Crystal Structure of Human Alpha-Defensin 1 (HNP1) I20A Mutant

The structure of Crystal Structure of Human Alpha-Defensin 1 (HNP1) I20A Mutant, PDB code: 4lbb was solved by W.D.Tolbert, X.Wu, M.Pazgier, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.61 / 1.72
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	37.745, 37.745, 40.507, 90.00, 90.00, 90.00
R / Rfree (%)	20.1 / 22.9

The binding sites of Chlorine atom in the Crystal Structure of Human Alpha-Defensin 1 (HNP1) I20A Mutant (pdb code 4lbb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of Human Alpha-Defensin 1 (HNP1) I20A Mutant, PDB code: 4lbb:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Crystal Structure of Human Alpha-Defensin 1 (HNP1) I20A 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 (HNP1) I20A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl101 b:73.3 occ:1.00 O A:HOH208 2.4 54.2 1.0 O A:PRO7 3.2 35.1 1.0 O A:LEU25 3.8 35.7 1.0 C A:PRO7 3.9 32.3 1.0 CA A:PRO7 4.2 31.3 1.0 N A:ALA27 4.2 29.5 1.0 C A:LEU25 4.4 33.4 1.0 CA A:TRP26 4.5 28.5 1.0 O A:ARG5 4.5 27.0 1.0 C A:TRP26 4.6 30.1 1.0 NH1 A:ARG15 4.6 37.7 1.0 N A:TRP26 4.7 30.1 1.0 CA A:ILE6 4.9 31.4 1.0 CB A:PRO7 5.0 31.1 1.0

Chlorine binding site 2 out of 6 in the Crystal Structure of Human Alpha-Defensin 1 (HNP1) I20A 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 (HNP1) I20A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl101 b:59.8 occ:1.00 O B:HOH210 2.6 44.8 1.0 CB B:ALA11 3.7 37.1 1.0 C B:ALA11 4.3 38.8 1.0 N B:GLY12 4.4 39.1 1.0 O B:ALA11 4.6 39.0 1.0 CA B:ALA11 4.6 35.9 1.0 CA B:GLY12 4.9 42.2 1.0

Chlorine binding site 3 out of 6 in the Crystal Structure of Human Alpha-Defensin 1 (HNP1) I20A Mutant


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 (HNP1) I20A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl102 b:69.2 occ:1.00 NH1 B:ARG15 3.7 40.5 1.0 NH2 B:ARG15 3.7 38.7 1.0 N B:ALA27 4.0 29.6 1.0 CZ B:ARG15 4.0 38.1 1.0 O B:PRO7 4.1 34.4 1.0 C B:TRP26 4.2 28.9 1.0 O B:LEU25 4.2 35.8 1.0 C B:LEU25 4.4 33.4 1.0 CA B:TRP26 4.5 29.6 1.0 N B:TRP26 4.5 30.5 1.0 CA B:ALA27 4.7 28.4 1.0 CB B:LEU25 4.7 39.1 1.0 CB B:ALA27 4.8 27.8 1.0 O B:TRP26 4.8 28.5 1.0

Chlorine binding site 4 out of 6 in the Crystal Structure of Human Alpha-Defensin 1 (HNP1) I20A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Human Alpha-Defensin 1 (HNP1) I20A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl103 b:69.8 occ:1.00 O B:HOH211 2.6 45.6 1.0 NH2 B:ARG5 4.1 63.0 1.0 CD1 B:ILE10 4.3 49.8 1.0 CZ B:ARG5 4.9 61.3 1.0 NH1 B:ARG5 5.0 63.5 1.0

Chlorine binding site 5 out of 6 in the Crystal Structure of Human Alpha-Defensin 1 (HNP1) I20A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Human Alpha-Defensin 1 (HNP1) I20A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl104 b:67.0 occ:1.00 O A:HOH209 2.2 54.5 1.0 CG2 B:ILE10 4.1 43.7 1.0

Chlorine binding site 6 out of 6 in the Crystal Structure of Human Alpha-Defensin 1 (HNP1) I20A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Human Alpha-Defensin 1 (HNP1) I20A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl105 b:66.5 occ:1.00 O B:GLU13 3.2 34.5 1.0 N B:GLY12 3.2 39.1 1.0 CA B:GLY12 4.0 42.2 1.0 CA B:ALA11 4.1 35.9 1.0 C B:ALA11 4.2 38.8 1.0 N B:GLU13 4.2 38.0 1.0 C B:GLY12 4.2 40.6 1.0 C B:GLU13 4.3 34.3 1.0 CB B:ALA11 4.7 37.1 1.0 CG B:ARG14 4.8 41.1 1.0 O B:ILE10 4.9 35.1 1.0 CA B:GLU13 4.9 35.7 1.0 NH2 B:ARG14 4.9 63.8 1.0 CZ B:ARG14 4.9 59.4 1.0

L.Zhao, W.D.Tolbert, B.Ericksen, C.Zhan, X.Wu, W.Yuan, X.Li, M.Pazgier, W.Lu. Single, Double and Quadruple Alanine Substitutions at Oligomeric Interfaces Identify Hydrophobicity As the Key Determinant of Human Neutrophil Alpha Defensin HNP1 Function. Plos One V. 8 78937 2013.
ISSN: ESSN 1932-6203
PubMed: 24236072
DOI: 10.1371/JOURNAL.PONE.0078937