Chlorine 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:

Calcium

(Ca)

2 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Chlorine 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 Chlorine atom.
In total 12 binding sites of Chlorine where determined in the Crystal Structure of Human Defensin-5 Y27A Mutant Crystal Form 2., PDB code: 5cuj:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 12 in the Crystal Structure of Human Defensin-5 Y27A Mutant Crystal Form 2.


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 Defensin-5 Y27A Mutant Crystal Form 2. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl102 b:40.1 occ:0.50 NH1 A:ARG6 3.3 50.0 1.0 N A:THR7 3.5 48.7 1.0 CB A:ARG6 3.5 45.6 1.0 CA A:ARG6 3.6 45.8 1.0 CG A:ARG6 3.7 45.5 1.0 CD A:ARG6 3.7 47.1 1.0 OG1 A:THR7 3.8 53.7 1.0 N A:GLY8 3.9 52.3 1.0 C A:ARG6 4.0 46.8 1.0 CZ A:ARG6 4.3 49.7 1.0 NE A:ARG6 4.5 48.0 1.0 CA A:THR7 4.5 50.8 1.0 CB A:THR7 4.7 53.2 1.0 O A:CYS5 4.7 46.6 1.0 C A:THR7 4.7 51.9 1.0 CA A:GLY8 4.7 53.8 1.0 O A:GLY8 4.8 50.0 1.0 N A:ARG6 4.8 44.7 1.0

Chlorine binding site 2 out of 12 in the Crystal Structure of Human Defensin-5 Y27A Mutant Crystal Form 2.


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 Defensin-5 Y27A Mutant Crystal Form 2. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl103 b:64.7 occ:0.50 O A:ARG32 4.2 65.1 1.0 OXT A:ARG32 4.3 60.6 1.0 CA A:ALA1 4.3 56.0 1.0 CB A:ALA1 4.7 53.6 1.0 C A:ARG32 4.7 61.4 1.0 O A:HOH202 4.7 30.7 1.0 N A:ALA1 4.8 57.6 1.0

Chlorine binding site 3 out of 12 in the Crystal Structure of Human Defensin-5 Y27A Mutant Crystal Form 2.


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 Human Defensin-5 Y27A Mutant Crystal Form 2. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl102 b:36.4 occ:0.50 N B:THR7 3.0 46.9 1.0 OG1 B:THR7 3.4 50.6 1.0 CA B:ARG6 3.4 44.9 1.0 CB B:ARG6 3.4 45.1 1.0 NH1 B:ARG6 3.6 48.6 1.0 N B:GLY8 3.6 49.4 1.0 C B:ARG6 3.7 45.5 1.0 CG B:ARG6 3.7 45.2 1.0 CD B:ARG6 3.9 46.5 1.0 CA B:THR7 4.0 48.0 1.0 CB B:THR7 4.2 49.8 1.0 C B:THR7 4.4 48.9 1.0 CA B:GLY8 4.6 50.6 1.0 CZ B:ARG6 4.6 48.2 1.0 NE B:ARG6 4.7 47.2 1.0 N B:ARG6 4.7 43.8 1.0 CG2 B:THR7 4.7 49.7 1.0 O B:CYS5 4.8 44.8 1.0 O B:GLY8 4.8 48.0 1.0 O B:ARG6 4.9 44.9 1.0

Chlorine binding site 4 out of 12 in the Crystal Structure of Human Defensin-5 Y27A Mutant Crystal Form 2.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Human Defensin-5 Y27A Mutant Crystal Form 2. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl103 b:76.8 occ:1.00 CL E:CL102 3.4 72.2 1.0 CD2 E:LEU16 3.8 52.6 1.0 CG2 E:VAL19 4.1 51.5 1.0 CG2 B:VAL19 4.2 49.0 1.0 O B:ALA27 4.3 42.4 1.0 CD1 E:LEU16 4.4 49.5 1.0 CG E:LEU16 4.4 50.9 1.0 C B:ALA27 4.5 42.9 1.0 O E:GLY18 4.6 47.1 1.0 N B:ARG28 4.6 43.1 1.0 CA B:ARG28 4.6 43.3 1.0 CG1 B:VAL19 4.7 47.5 1.0 O B:GLY18 4.8 45.9 1.0 CG B:ARG28 4.9 45.0 1.0 CD1 B:LEU16 4.9 48.7 1.0 CB B:VAL19 4.9 47.7 1.0 CD2 B:LEU16 5.0 51.5 1.0

Chlorine binding site 5 out of 12 in the Crystal Structure of Human Defensin-5 Y27A Mutant Crystal Form 2.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Human Defensin-5 Y27A Mutant Crystal Form 2. within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl101 b:44.3 occ:0.50 N C:THR7 3.0 44.5 1.0 OG1 C:THR7 3.3 49.6 1.0 CB C:ARG6 3.4 42.2 1.0 CA C:ARG6 3.4 42.2 1.0 N C:GLY8 3.5 48.0 1.0 NH1 C:ARG6 3.6 47.3 1.0 C C:ARG6 3.7 42.8 1.0 CG C:ARG6 3.7 42.5 1.0 CD C:ARG6 3.7 44.3 1.0 CA C:THR7 4.0 45.8 1.0 CB C:THR7 4.2 48.1 1.0 C C:THR7 4.3 47.1 1.0 CA C:GLY8 4.4 49.7 1.0 CZ C:ARG6 4.6 46.9 1.0 NE C:ARG6 4.6 45.2 1.0 O C:GLY8 4.6 46.6 1.0 CG2 C:THR7 4.7 48.1 1.0 O C:CYS5 4.8 43.6 1.0 N C:ARG6 4.8 41.4 1.0 C C:GLY8 4.8 48.8 1.0 O C:ARG6 4.9 41.5 1.0

Chlorine binding site 6 out of 12 in the Crystal Structure of Human Defensin-5 Y27A Mutant Crystal Form 2.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Human Defensin-5 Y27A Mutant Crystal Form 2. within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl102 b:81.9 occ:1.00 CD2 D:LEU26 4.6 48.4 1.0 CG1 D:VAL19 4.7 45.8 1.0 CG1 C:VAL19 4.7 45.1 1.0 CD2 C:LEU26 4.9 48.7 1.0 CD2 B:LEU26 5.0 48.7 1.0

Chlorine binding site 7 out of 12 in the Crystal Structure of Human Defensin-5 Y27A Mutant Crystal Form 2.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Human Defensin-5 Y27A Mutant Crystal Form 2. within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl101 b:34.4 occ:0.50 N D:THR7 3.2 43.2 1.0 CB D:ARG6 3.4 41.6 1.0 CA D:ARG6 3.4 41.4 1.0 NH1 D:ARG6 3.4 45.4 1.0 OG1 D:THR7 3.6 46.7 1.0 CG D:ARG6 3.7 41.8 1.0 C D:ARG6 3.8 41.9 1.0 CD D:ARG6 3.9 43.0 1.0 N D:GLY8 3.9 46.2 1.0 CA D:THR7 4.2 44.2 1.0 CB D:THR7 4.4 45.7 1.0 CZ D:ARG6 4.5 45.1 1.0 C D:THR7 4.6 45.3 1.0 NE D:ARG6 4.7 43.8 1.0 N D:ARG6 4.7 40.5 1.0 O D:CYS5 4.7 41.9 1.0 CA D:GLY8 4.9 47.8 1.0 CG2 D:THR7 4.9 45.8 1.0 O D:GLY8 4.9 46.0 1.0

Chlorine binding site 8 out of 12 in the Crystal Structure of Human Defensin-5 Y27A Mutant Crystal Form 2.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Human Defensin-5 Y27A Mutant Crystal Form 2. within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl102 b:65.0 occ:1.00 NH2 D:ARG28 3.2 48.2 1.0 N F:LEU16 3.5 51.9 1.0 CA F:SER15 4.0 55.3 1.0 CB F:LEU16 4.2 50.7 1.0 CZ D:ARG28 4.2 46.5 1.0 C F:SER15 4.3 52.5 1.0 NH1 D:ARG28 4.4 45.4 1.0 CB F:SER15 4.5 56.9 1.0 CA F:LEU16 4.5 50.2 1.0 O F:GLU14 4.8 59.5 1.0 O F:HOH205 4.8 55.1 1.0 O F:HOH206 4.9 39.5 1.0 OG F:SER15 4.9 60.1 1.0 O F:LEU16 5.0 51.3 1.0

Chlorine binding site 9 out of 12 in the Crystal Structure of Human Defensin-5 Y27A Mutant Crystal Form 2.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of Human Defensin-5 Y27A Mutant Crystal Form 2. within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl101 b:39.0 occ:0.50 NH1 E:ARG6 3.4 52.9 1.0 N E:THR7 3.5 52.0 1.0 CB E:ARG6 3.5 49.0 1.0 CA E:ARG6 3.6 48.9 1.0 CG E:ARG6 3.7 48.8 1.0 CD E:ARG6 3.8 50.7 1.0 OG1 E:THR7 3.8 56.8 1.0 N E:GLY8 4.0 56.2 1.0 C E:ARG6 4.1 50.0 1.0 CZ E:ARG6 4.4 52.6 1.0 CA E:THR7 4.5 53.9 1.0 NE E:ARG6 4.5 51.5 1.0 CB E:THR7 4.7 56.1 1.0 O E:CYS5 4.8 48.3 1.0 C E:THR7 4.8 55.4 1.0 N E:ARG6 4.8 47.1 1.0 O E:GLY8 4.8 54.7 1.0 CA E:GLY8 4.8 58.2 1.0

Chlorine binding site 10 out of 12 in the Crystal Structure of Human Defensin-5 Y27A Mutant Crystal Form 2.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of Human Defensin-5 Y27A Mutant Crystal Form 2. within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl102 b:72.2 occ:1.00 CL B:CL103 3.4 76.8 1.0 CD2 B:LEU16 3.8 51.5 1.0 O E:ALA27 4.0 48.8 1.0 C E:ALA27 4.1 49.5 1.0 CG2 B:VAL19 4.3 49.0 1.0 CG B:LEU16 4.3 50.5 1.0 N E:ARG28 4.4 49.0 1.0 CG2 E:VAL19 4.5 51.5 1.0 CD1 B:LEU16 4.5 48.7 1.0 N E:ALA27 4.5 52.6 1.0 CB E:LEU26 4.5 58.5 1.0 O B:GLY18 4.6 45.9 1.0 CA E:ALA27 4.6 51.3 1.0 CA E:ARG28 4.6 48.1 1.0 C E:LEU26 4.7 55.4 1.0 CG1 E:VAL19 4.8 51.7 1.0 CG E:ARG28 4.9 50.9 1.0 O E:LEU26 4.9 56.4 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