Calcium in PDB 5cum: Crystal Structure of Human Defensin-5 Y27A Mutant Crystal Form 1.

The structure of Crystal Structure of Human Defensin-5 Y27A Mutant Crystal Form 1., PDB code: 5cum was solved by W.D.Tolbert, N.Gohain, M.Pazgier, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.65 / 1.75
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	47.603, 59.966, 38.272, 90.00, 111.36, 90.00
R / Rfree (%)	17.3 / 22

The structure of Crystal Structure of Human Defensin-5 Y27A Mutant Crystal Form 1. also contains other interesting chemical elements:

Chlorine

(Cl)

6 atoms

The binding sites of Calcium atom in the Crystal Structure of Human Defensin-5 Y27A Mutant Crystal Form 1. (pdb code 5cum). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structure of Human Defensin-5 Y27A Mutant Crystal Form 1., PDB code: 5cum:

Calcium binding site 1 out of 1 in the Crystal Structure of Human Defensin-5 Y27A Mutant Crystal Form 1.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Human Defensin-5 Y27A Mutant Crystal Form 1. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca101 b:21.7 occ:1.00 OE2 C:GLU21 2.3 27.5 1.0 OE2 B:GLU21 2.3 27.7 1.0 OE2 A:GLU21 2.3 24.3 1.0 O C:GLY24 2.3 29.8 1.0 O B:GLY24 2.3 30.8 1.0 O A:GLY24 2.3 31.0 1.0 C B:GLY24 3.4 31.8 1.0 C A:GLY24 3.4 31.2 1.0 C C:GLY24 3.4 28.5 1.0 CD A:GLU21 3.5 20.8 1.0 CD B:GLU21 3.5 19.9 1.0 CD C:GLU21 3.5 21.1 1.0 CA B:GLY24 4.1 33.6 1.0 CA A:GLY24 4.1 35.9 1.0 CA C:GLY24 4.1 30.8 1.0 OE1 B:GLU21 4.2 21.1 1.0 OE1 A:GLU21 4.2 23.4 1.0 OE1 C:GLU21 4.2 23.1 1.0 N A:ARG25 4.3 24.2 1.0 N B:ARG25 4.3 24.7 1.0 N C:ARG25 4.4 24.0 1.0 CA B:ARG25 4.5 23.5 1.0 CA A:ARG25 4.5 27.0 1.0 CA C:ARG25 4.5 23.5 1.0 CG A:GLU21 4.5 23.7 1.0 CG C:GLU21 4.6 20.9 1.0 CG B:GLU21 4.6 25.5 1.0 N B:LEU26 5.0 21.6 1.0 N C:LEU26 5.0 21.2 1.0 N A:LEU26 5.0 24.5 1.0 CD2 B:LEU26 5.0 27.1 1.0

D.Xu, C.Liao, B.Zhang, W.D.Tolbert, W.He, Z.Dai, W.Zhang, W.Yuan, M.Pazgier, J.Liu, J.Yu, P.J.Sansonetti, C.L.Bevins, Y.Shao, W.Lu. Human Enteric Alpha-Defensin 5 Promotes Shigella Infection By Enhancing Bacterial Adhesion and Invasion. Immunity 2018.
ISSN: ISSN 1097-4180
PubMed: 29858013
DOI: 10.1016/J.IMMUNI.2018.04.014