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

Protein crystallography data

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

Chlorine Binding Sites:

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 3go0

Go back to Chlorine Binding Sites List in 3go0
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 3go0

Go back to Chlorine Binding Sites List in 3go0
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 3go0

Go back to Chlorine Binding Sites List in 3go0
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

Reference:

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
Page generated: Fri Jul 11 05:43:24 2025

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