Chlorine in PDB 4rbw: Crystal Structure of Human Alpha-Defensin 5, HD5 (THR7ARG GLU21ARG Mutant)

The structure of Crystal Structure of Human Alpha-Defensin 5, HD5 (THR7ARG GLU21ARG Mutant), PDB code: 4rbw was solved by M.Pazgier, N.Gohain, W.D.Tolbert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.08 / 1.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	20.550, 51.703, 50.676, 90.00, 96.35, 90.00
R / Rfree (%)	18.2 / 22.1

The binding sites of Chlorine atom in the Crystal Structure of Human Alpha-Defensin 5, HD5 (THR7ARG GLU21ARG Mutant) (pdb code 4rbw). 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 5, HD5 (THR7ARG GLU21ARG Mutant), PDB code: 4rbw:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Human Alpha-Defensin 5, HD5 (THR7ARG GLU21ARG 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 5, HD5 (THR7ARG GLU21ARG Mutant) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl103 b:37.4 occ:1.00 CD B:ARG21 3.4 39.2 1.0 CG B:ARG21 3.9 37.4 1.0 NH1 B:ARG21 4.3 46.0 1.0 NE B:ARG21 4.5 43.5 1.0 CZ B:ARG21 4.8 42.8 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human Alpha-Defensin 5, HD5 (THR7ARG GLU21ARG 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 5, HD5 (THR7ARG GLU21ARG Mutant) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl103 b:47.6 occ:1.00 O C:HOH219 3.8 33.9 1.0 O C:HOH201 3.9 31.1 1.0 CD C:ARG9 3.9 32.3 1.0 NE C:ARG9 4.1 42.6 1.0 O C:HOH213 4.2 46.2 1.0 CG C:ARG9 4.5 25.7 1.0 CZ C:ARG9 4.7 43.1 1.0 CB C:ARG9 4.8 21.3 1.0 O C:HOH217 5.0 33.7 1.0 NH1 C:ARG9 5.0 40.9 1.0

C.Wang, M.Shen, N.Gohain, W.D.Tolbert, F.Chen, N.Zhang, K.Yang, A.Wang, Y.Su, T.Cheng, J.Zhao, M.Pazgier, J.Wang. Design of A Potent Antibiotic Peptide Based on the Active Region of Human Defensin 5. J.Med.Chem. V. 58 3083 2015.
ISSN: ISSN 0022-2623
PubMed: 25782105
DOI: 10.1021/JM501824A