Calcium in PDB 5cuj: Crystal Structure of Human Defensin-5 Y27A Mutant Crystal Form 2.

The structure of Crystal Structure of Human Defensin-5 Y27A Mutant Crystal Form 2., PDB code: 5cuj 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)	45.74 / 2.08
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	73.758, 59.758, 47.284, 90.00, 105.54, 90.00
R / Rfree (%)	23.5 / 29.2

The structure of Crystal Structure of Human Defensin-5 Y27A Mutant Crystal Form 2. also contains other interesting chemical elements:

Chlorine

(Cl)

12 atoms

The binding sites of Calcium atom in the Crystal Structure of Human Defensin-5 Y27A Mutant Crystal Form 2. (pdb code 5cuj). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Human Defensin-5 Y27A Mutant Crystal Form 2., PDB code: 5cuj:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Human Defensin-5 Y27A Mutant Crystal Form 2.


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 2. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca101 b:50.6 occ:1.00 OE2 F:GLU21 2.4 62.5 1.0 OE2 E:GLU21 2.4 63.3 1.0 OE2 A:GLU21 2.4 63.9 1.0 O E:GLY24 2.5 70.2 1.0 O F:GLY24 2.5 68.3 1.0 O A:GLY24 2.5 72.0 1.0 C E:GLY24 3.3 68.1 1.0 C A:GLY24 3.4 69.7 1.0 C F:GLY24 3.5 67.0 1.0 CD A:GLU21 3.6 61.8 1.0 CD F:GLU21 3.6 61.0 1.0 CD E:GLU21 3.6 61.0 1.0 CA E:GLY24 4.0 69.0 1.0 CA A:GLY24 4.0 70.9 1.0 CA F:GLY24 4.3 68.7 1.0 N E:ARG25 4.3 65.6 1.0 OE1 A:GLU21 4.3 62.7 1.0 N A:ARG25 4.3 66.7 1.0 OE1 F:GLU21 4.3 62.0 1.0 OE1 E:GLU21 4.4 61.4 1.0 N F:ARG25 4.4 64.4 1.0 CA E:ARG25 4.5 65.1 1.0 CG E:GLU21 4.5 57.9 1.0 CG A:GLU21 4.6 58.1 1.0 CA F:ARG25 4.6 63.2 1.0 CG F:GLU21 4.6 57.9 1.0 CA A:ARG25 4.6 66.1 1.0 CD2 E:LEU26 4.8 60.1 1.0 CD2 F:LEU26 4.9 58.4 1.0 CD2 A:LEU26 5.0 62.5 1.0 C E:ARG25 5.0 61.2 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Human Defensin-5 Y27A Mutant Crystal Form 2.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Human Defensin-5 Y27A Mutant Crystal Form 2. within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca101 b:38.0 occ:1.00 OE2 D:GLU21 2.3 49.0 1.0 OE2 C:GLU21 2.4 49.5 1.0 OE2 B:GLU21 2.4 50.6 1.0 O D:GLY24 2.4 49.4 1.0 O B:GLY24 2.5 51.9 1.0 O C:GLY24 2.5 52.1 1.0 CD C:GLU21 3.4 48.4 1.0 C D:GLY24 3.4 48.5 1.0 CD D:GLU21 3.4 47.6 1.0 CD B:GLU21 3.5 49.4 1.0 C B:GLY24 3.5 51.1 1.0 C C:GLY24 3.5 50.8 1.0 OE1 C:GLU21 4.1 49.4 1.0 CA D:GLY24 4.2 49.3 1.0 OE1 B:GLU21 4.2 50.1 1.0 CA B:GLY24 4.2 51.9 1.0 OE1 D:GLU21 4.3 48.0 1.0 CA C:GLY24 4.3 52.0 1.0 CG D:GLU21 4.3 46.1 1.0 N D:ARG25 4.3 47.0 1.0 CG B:GLU21 4.3 47.8 1.0 N B:ARG25 4.4 49.8 1.0 CG C:GLU21 4.4 45.9 1.0 N C:ARG25 4.5 48.9 1.0 CA D:ARG25 4.5 47.0 1.0 CA B:ARG25 4.6 49.8 1.0 CA C:ARG25 4.7 48.6 1.0 CD2 C:LEU26 4.7 48.7 1.0 CD2 B:LEU26 4.8 48.7 1.0 N D:LEU26 4.9 45.6 1.0 CD2 D:LEU26 5.0 48.4 1.0 C D:ARG25 5.0 45.1 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