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Chlorine in PDB 5cui: Crystal Structure of Human Defensin-5 R28A Mutant.

Protein crystallography data

The structure of Crystal Structure of Human Defensin-5 R28A Mutant., PDB code: 5cui 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) 36.73 / 2.40
Space group C 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 59.940, 103.745, 103.985, 90.00, 90.00, 90.00
R / Rfree (%) 18.3 / 22.1

Chlorine Binding Sites:

Pages:

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

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Defensin-5 R28A Mutant. (pdb code 5cui). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 11 binding sites of Chlorine where determined in the Crystal Structure of Human Defensin-5 R28A Mutant., PDB code: 5cui:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 11 in 5cui

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Chlorine binding site 1 out of 11 in the Crystal Structure of Human Defensin-5 R28A Mutant.


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 R28A Mutant. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl101

b:37.6
occ:0.50
 NH1 A:ARG6 3.2 30.9 1.0
N A:THR7 3.3 30.0 1.0
CA A:ARG6 3.4 26.8 1.0
CB A:ARG6 3.5 27.1 1.0
CG A:ARG6 3.5 26.4 1.0
CD A:ARG6 3.7 29.6 1.0
OG1 A:THR7 3.8 35.0 1.0
C A:ARG6 3.9 31.5 1.0
N A:GLY8 4.1 38.4 1.0
CZ A:ARG6 4.3 31.6 1.0
CA A:THR7 4.3 32.5 1.0
NE A:ARG6 4.5 28.8 1.0
CB A:THR7 4.6 34.0 1.0
O A:CYS5 4.6 30.8 1.0
N A:ARG6 4.7 33.7 1.0
C A:THR7 4.7 39.0 1.0
CG2 A:THR7 4.9 33.3 1.0

Chlorine binding site 2 out of 11 in 5cui

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Chlorine binding site 2 out of 11 in the Crystal Structure of Human Defensin-5 R28A Mutant.


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 R28A Mutant. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl101

b:35.6
occ:1.00
 N C:THR7 3.2 40.5 1.0
N B:THR7 3.3 33.1 1.0
NH1 B:ARG6 3.3 33.5 1.0
NH1 C:ARG6 3.3 34.2 1.0
CA C:ARG6 3.4 32.8 1.0
CA B:ARG6 3.5 37.6 1.0
CB C:ARG6 3.5 27.1 1.0
CB B:ARG6 3.5 26.8 1.0
CG C:ARG6 3.6 27.6 1.0
CG B:ARG6 3.7 27.6 1.0
CD C:ARG6 3.7 34.5 1.0
OG1 B:THR7 3.8 37.6 1.0
CD B:ARG6 3.8 30.8 1.0
OG1 C:THR7 3.8 39.2 1.0
C C:ARG6 3.8 33.7 1.0
C B:ARG6 3.9 31.1 1.0
N C:GLY8 3.9 36.7 1.0
N B:GLY8 3.9 34.5 1.0
CA C:THR7 4.3 40.6 1.0
CA B:THR7 4.3 47.1 1.0
CZ B:ARG6 4.3 29.2 1.0
CZ C:ARG6 4.3 33.4 1.0
NE C:ARG6 4.5 32.2 1.0
NE B:ARG6 4.5 29.2 1.0
CB B:THR7 4.5 36.4 1.0
CB C:THR7 4.6 34.4 1.0
C C:THR7 4.6 38.0 1.0
C B:THR7 4.6 42.2 1.0
N C:ARG6 4.7 32.3 1.0
O C:CYS5 4.7 25.5 1.0
N B:ARG6 4.7 33.7 1.0
O B:CYS5 4.7 25.7 1.0
CA C:GLY8 4.8 35.8 1.0
CA B:GLY8 4.8 36.4 1.0
CG2 C:THR7 4.9 33.3 1.0
CG2 B:THR7 4.9 35.6 1.0

Chlorine binding site 3 out of 11 in 5cui

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Chlorine binding site 3 out of 11 in the Crystal Structure of Human Defensin-5 R28A Mutant.


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 R28A Mutant. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl102

b:51.1
occ:1.00
 N B:GLY24 3.1 42.5 1.0
O B:GLU21 3.4 48.7 1.0
C B:GLU21 3.4 38.6 1.0
N B:SER23 3.6 44.3 1.0
O B:HOH205 3.7 42.7 1.0
N B:ILE22 3.7 45.4 1.0
CA B:GLY24 3.7 49.1 1.0
CB B:GLU21 3.8 38.3 1.0
C B:ILE22 3.9 43.3 1.0
CA B:ILE22 4.1 38.4 1.0
CA B:GLU21 4.1 44.3 1.0
C B:SER23 4.1 57.6 1.0
CA B:SER23 4.2 48.5 1.0
O B:HOH204 4.4 55.8 1.0
O B:HOH212 4.5 40.5 1.0
N B:ARG25 4.5 39.9 1.0
C B:GLY24 4.6 43.6 1.0
O B:ILE22 4.7 51.5 1.0
OE1 B:GLU21 4.7 65.3 1.0
CG B:GLU21 5.0 37.4 1.0

Chlorine binding site 4 out of 11 in 5cui

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Chlorine binding site 4 out of 11 in the Crystal Structure of Human Defensin-5 R28A Mutant.


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 R28A Mutant. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl101

b:51.5
occ:1.00
 N C:GLY24 3.1 51.0 1.0
O C:GLU21 3.2 61.9 1.0
C C:GLU21 3.4 40.6 1.0
N C:SER23 3.5 47.5 1.0
N C:ILE22 3.7 39.1 1.0
O C:HOH202 3.7 48.2 1.0
CA C:GLY24 3.7 51.2 1.0
CB C:GLU21 3.9 37.3 1.0
C C:ILE22 3.9 48.4 1.0
CD2 E:LEU16 3.9 32.9 1.0
CA C:ILE22 4.0 42.5 1.0
C C:SER23 4.1 61.8 1.0
CA C:GLU21 4.1 46.5 1.0
O E:LEU16 4.1 45.9 1.0
CA C:SER23 4.2 56.8 1.0
CG E:LEU16 4.2 30.4 1.0
CB E:LEU16 4.3 30.4 1.0
O F:HOH202 4.4 36.0 1.0
C C:GLY24 4.5 46.7 1.0
N C:ARG25 4.5 43.5 1.0
O C:HOH207 4.6 44.2 1.0
O C:ILE22 4.7 50.2 1.0
C E:LEU16 4.8 31.1 1.0
OE1 C:GLU21 4.8 58.1 1.0

Chlorine binding site 5 out of 11 in 5cui

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Chlorine binding site 5 out of 11 in the Crystal Structure of Human Defensin-5 R28A Mutant.


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 R28A Mutant. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl102

b:55.3
occ:1.00
 NH1 E:ARG9 2.6 54.5 1.0
NE C:ARG25 2.9 67.2 1.0
N C:LEU26 3.1 37.1 1.0
CD E:ARG9 3.3 60.1 1.0
CG E:ARG9 3.4 54.1 1.0
CA C:ARG25 3.5 40.8 1.0
CD C:ARG25 3.5 61.0 1.0
CZ E:ARG9 3.6 65.0 1.0
CB E:ARG9 3.7 37.8 1.0
C C:ARG25 3.8 38.5 1.0
CB C:ARG25 3.8 42.3 1.0
NE E:ARG9 3.9 64.7 1.0
CZ C:ARG25 3.9 71.5 1.0
CB C:LEU26 4.1 40.1 1.0
NH2 C:ARG25 4.1 74.2 1.0
CA C:LEU26 4.1 36.6 1.0
CG C:LEU26 4.3 51.0 1.0
CG C:ARG25 4.3 44.4 1.0
CD1 C:LEU26 4.3 42.5 1.0
O C:GLY24 4.3 47.7 1.0
CA E:ARG9 4.4 41.0 1.0
O C:LEU26 4.5 44.4 1.0
N C:ARG25 4.7 43.5 1.0
C C:LEU26 4.8 36.8 1.0
NH2 E:ARG9 4.8 81.8 1.0
C C:GLY24 5.0 46.7 1.0
O C:ARG25 5.0 38.0 1.0

Chlorine binding site 6 out of 11 in 5cui

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Chlorine binding site 6 out of 11 in the Crystal Structure of Human Defensin-5 R28A Mutant.


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 R28A Mutant. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl101

b:32.1
occ:0.50
 N D:THR7 3.2 29.9 1.0
NH1 D:ARG6 3.2 31.5 1.0
CA D:ARG6 3.4 27.2 1.0
CB D:ARG6 3.5 27.4 1.0
CG D:ARG6 3.6 28.2 1.0
OG1 D:THR7 3.6 39.8 1.0
CD D:ARG6 3.8 36.9 1.0
C D:ARG6 3.8 28.5 1.0
N D:GLY8 4.0 32.5 1.0
CA D:THR7 4.2 31.8 1.0
CZ D:ARG6 4.3 31.0 1.0
CB D:THR7 4.4 36.1 1.0
NE D:ARG6 4.5 29.7 1.0
C D:THR7 4.6 33.0 1.0
O D:CYS5 4.7 27.1 1.0
N D:ARG6 4.7 36.5 1.0
CG2 D:THR7 4.8 34.5 1.0

Chlorine binding site 7 out of 11 in 5cui

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Chlorine binding site 7 out of 11 in the Crystal Structure of Human Defensin-5 R28A Mutant.


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 R28A Mutant. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl102

b:95.6
occ:1.00
 CD2 D:LEU26 4.0 59.4 1.0
O D:LEU26 4.1 41.1 1.0
N D:ALA28 4.6 34.0 1.0
CA D:TYR27 4.7 30.6 1.0
C D:LEU26 4.7 37.3 1.0
O D:THR7 4.7 36.0 1.0
C D:TYR27 4.8 28.7 1.0
O D:ARG6 4.9 28.6 1.0
CG1 F:VAL19 4.9 34.3 1.0
N D:TYR27 5.0 31.7 1.0

Chlorine binding site 8 out of 11 in 5cui

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Chlorine binding site 8 out of 11 in the Crystal Structure of Human Defensin-5 R28A Mutant.


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 R28A Mutant. within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl101

b:36.5
occ:0.50
 N E:THR7 3.3 30.4 1.0
CB E:ARG6 3.4 27.1 1.0
CA E:ARG6 3.4 27.1 1.0
NH1 E:ARG6 3.4 29.5 1.0
CG E:ARG6 3.5 26.5 1.0
OG1 E:THR7 3.8 39.1 1.0
C E:ARG6 3.8 33.2 1.0
CD E:ARG6 3.8 27.8 1.0
N E:GLY8 4.0 32.9 1.0
CA E:THR7 4.3 32.8 1.0
CZ E:ARG6 4.4 33.4 1.0
CB E:THR7 4.6 36.5 1.0
NE E:ARG6 4.6 28.0 1.0
O E:CYS5 4.6 30.8 1.0
N E:ARG6 4.6 30.6 1.0
C E:THR7 4.7 38.3 1.0
CA E:GLY8 5.0 37.1 1.0

Chlorine binding site 9 out of 11 in 5cui

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Chlorine binding site 9 out of 11 in the Crystal Structure of Human Defensin-5 R28A Mutant.


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 R28A Mutant. within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl102

b:94.5
occ:1.00
 O E:LEU26 4.3 37.4 1.0
N E:ALA28 4.6 40.9 1.0
CG1 C:VAL19 4.7 40.0 1.0
CA E:TYR27 4.8 34.0 1.0
C E:TYR27 4.8 32.1 1.0
C E:LEU26 4.8 35.5 1.0
N E:TYR27 5.0 32.4 1.0

Chlorine binding site 10 out of 11 in 5cui

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Chlorine binding site 10 out of 11 in the Crystal Structure of Human Defensin-5 R28A Mutant.


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 R28A Mutant. within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl101

b:31.3
occ:0.50
 N F:THR7 3.2 38.8 1.0
NH1 F:ARG6 3.3 34.8 1.0
CA F:ARG6 3.4 32.6 1.0
CB F:ARG6 3.4 29.9 1.0
CG F:ARG6 3.6 29.8 1.0
OG1 F:THR7 3.8 38.1 1.0
CD F:ARG6 3.8 32.0 1.0
C F:ARG6 3.8 30.3 1.0
N F:GLY8 3.9 36.6 1.0
CA F:THR7 4.2 49.6 1.0
CZ F:ARG6 4.3 34.1 1.0
NE F:ARG6 4.5 32.8 1.0
CB F:THR7 4.5 36.5 1.0
C F:THR7 4.6 46.0 1.0
N F:ARG6 4.7 33.4 1.0
O F:CYS5 4.7 29.6 1.0
CA F:GLY8 4.8 37.8 1.0
CG2 F:THR7 4.9 35.6 1.0

Reference:

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
Page generated: Sat Dec 12 11:36:09 2020

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