Chlorine in PDB 3go0: Crystal Structure of D-Enantiomer of Human Alpha-Defensin 1 (D-HNP1)

The structure of Crystal Structure of D-Enantiomer of Human Alpha-Defensin 1 (D-HNP1), PDB code: 3go0 was solved by M.Pazgier, W.-Y.Lu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	12.00 / 1.56
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	45.277, 31.098, 40.281, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 19.9

The binding sites of Chlorine atom in the Crystal Structure of D-Enantiomer of Human Alpha-Defensin 1 (D-HNP1) (pdb code 3go0). 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 D-Enantiomer of Human Alpha-Defensin 1 (D-HNP1), PDB code: 3go0:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of D-Enantiomer of Human Alpha-Defensin 1 (D-HNP1)


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 D-Enantiomer of Human Alpha-Defensin 1 (D-HNP1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl31 b:63.7 occ:1.00 NH1 A:DAR15 3.8 21.3 1.0 NH2 A:DAR15 4.0 19.7 1.0 O A:HOH54 4.1 44.0 1.0 O A:DLE25 4.1 13.7 1.0 N A:DAL27 4.2 11.5 1.0 CZ A:DAR15 4.2 19.9 1.0 C A:DTR26 4.3 12.3 1.0 C A:DLE25 4.5 13.5 1.0 CA A:DTR26 4.6 12.3 1.0 N A:DTR26 4.6 12.3 1.0 O A:HOH74 4.7 25.7 1.0 CB A:DLE25 4.7 13.4 1.0 O A:DPR7 4.7 14.7 1.0 O A:DTR26 4.7 12.9 1.0 O A:HOH33 4.7 26.3 1.0 CA A:DAL27 4.8 11.7 1.0 CB A:DAL27 4.9 11.6 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of D-Enantiomer of Human Alpha-Defensin 1 (D-HNP1)


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 D-Enantiomer of Human Alpha-Defensin 1 (D-HNP1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl32 b:55.9 occ:1.00 O A:HOH75 3.8 31.6 1.0 CE2 A:DTY21 3.9 12.4 1.0 CZ3 A:DTR26 4.3 13.6 1.0 O B:HOH68 4.3 26.2 1.0 O A:DCY4 4.4 13.9 1.0 CH2 A:DTR26 4.4 12.3 1.0 CZ B:DPN28 4.4 16.3 1.0 O A:HOH52 4.4 24.0 1.0 CD2 A:DTY21 4.5 12.4 1.0 SG B:DCY2 4.6 19.6 1.0 CZ A:DTY21 4.7 12.8 1.0 CE1 B:DPN28 4.8 16.2 1.0 CE3 A:DTR26 4.9 12.4 1.0 OH A:DTY21 4.9 13.1 1.0 CB A:DCY4 5.0 13.6 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of D-Enantiomer of Human Alpha-Defensin 1 (D-HNP1)


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 D-Enantiomer of Human Alpha-Defensin 1 (D-HNP1) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl31 b:63.7 occ:1.00 O B:DLE25 3.8 14.7 1.0 O B:DPR7 4.1 18.2 1.0 N B:DAL27 4.1 13.3 1.0 C B:DLE25 4.3 14.8 1.0 C B:DTR26 4.4 13.6 1.0 CA B:DTR26 4.4 13.5 1.0 N B:DTR26 4.6 13.3 1.0 NH1 B:DAR15 4.6 22.2 1.0 CB B:DLE25 4.8 15.0 1.0 CG1 B:DIL6 4.8 18.7 1.0 O B:DAR5 4.9 15.7 1.0 NH2 B:DAR15 4.9 20.5 1.0 CB B:DAL27 4.9 12.9 1.0 CA B:DAL27 4.9 12.9 1.0

G.Wei, E.De Leeuw, M.Pazgier, W.Yuan, G.Zou, J.Wang, B.Ericksen, W.Y.Lu, R.I.Lehrer, W.Lu. Through the Looking Glass, Mechanistic Insights From Enantiomeric Human Defensins. J.Biol.Chem. V. 284 29180 2009.
ISSN: ISSN 0021-9258
PubMed: 19640840
DOI: 10.1074/JBC.M109.018085