Atomistry » Chlorine » PDB 4wcv-4wkq » 4wgf
Atomistry »
  Chlorine »
    PDB 4wcv-4wkq »
      4wgf »

Chlorine in PDB 4wgf: Ycac From Pseudomonas Aeruginosa with Hexane-2,5-Diol and Covalent Acrylamide

Protein crystallography data

The structure of Ycac From Pseudomonas Aeruginosa with Hexane-2,5-Diol and Covalent Acrylamide, PDB code: 4wgf was solved by M.K.Groftehauge, D.Truan, A.Vasil, P.W.Denny, M.L.Vasil, E.Pohl, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 31.72 / 2.34
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 158.360, 74.480, 141.060, 90.00, 92.29, 90.00
R / Rfree (%) 17.2 / 20.4

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Ycac From Pseudomonas Aeruginosa with Hexane-2,5-Diol and Covalent Acrylamide (pdb code 4wgf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Ycac From Pseudomonas Aeruginosa with Hexane-2,5-Diol and Covalent Acrylamide, PDB code: 4wgf:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 4wgf

Go back to Chlorine Binding Sites List in 4wgf
Chlorine binding site 1 out of 8 in the Ycac From Pseudomonas Aeruginosa with Hexane-2,5-Diol and Covalent Acrylamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ycac From Pseudomonas Aeruginosa with Hexane-2,5-Diol and Covalent Acrylamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:23.1
occ:1.00
 ND2 A:ASN87 3.0 16.1 1.0
N A:ASN87 3.1 13.5 1.0
ND2 A:ASN93 3.3 12.8 1.0
CD A:PRO85 3.3 18.2 1.0
CB A:ASN87 3.4 15.1 1.0
N A:GLY86 3.4 21.5 1.0
CB A:ARG84 3.6 9.9 1.0
CG A:ASN87 3.6 17.2 1.0
N A:PRO85 3.7 18.7 1.0
CA A:ARG84 3.7 15.0 1.0
CA A:ASN87 3.8 13.1 1.0
CG A:PRO85 3.9 17.9 1.0
C A:ARG84 3.9 17.9 1.0
NH2 B:ARG177 4.0 21.2 1.0
C A:GLY86 4.0 15.5 1.0
CA A:GLY86 4.1 20.5 1.0
CG A:ASN93 4.3 12.6 1.0
CB A:ASN93 4.4 13.5 1.0
C A:PRO85 4.5 23.3 1.0
CG A:ARG84 4.5 9.6 1.0
CA A:PRO85 4.6 20.1 1.0
O A:ASN87 4.6 11.9 1.0
CZ B:ARG177 4.6 20.7 1.0
C A:ASN87 4.7 12.0 1.0
O A:ARG84 4.7 21.2 1.0
OD1 A:ASN87 4.8 18.1 1.0
CB A:PRO85 4.9 18.1 1.0
CD A:ARG84 4.9 9.3 1.0
O A:HOH495 5.0 24.5 1.0

Chlorine binding site 2 out of 8 in 4wgf

Go back to Chlorine Binding Sites List in 4wgf
Chlorine binding site 2 out of 8 in the Ycac From Pseudomonas Aeruginosa with Hexane-2,5-Diol and Covalent Acrylamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Ycac From Pseudomonas Aeruginosa with Hexane-2,5-Diol and Covalent Acrylamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl303

b:36.4
occ:1.00
 ND2 B:ASN87 2.8 24.0 1.0
ND2 B:ASN93 2.9 10.9 1.0
N B:ASN87 3.2 16.9 1.0
CB B:ASN87 3.3 19.5 1.0
CD B:PRO85 3.3 22.6 1.0
CG B:ASN87 3.5 21.7 1.0
N B:GLY86 3.7 23.2 1.0
CB B:ARG84 3.8 15.0 1.0
CG B:PRO85 3.8 24.0 1.0
CA B:ASN87 3.8 17.2 1.0
N B:PRO85 3.9 22.5 1.0
CG B:ASN93 3.9 11.3 1.0
CA B:ARG84 4.0 16.8 1.0
CB B:ASN93 4.0 10.3 1.0
C B:ARG84 4.1 20.4 1.0
NH2 C:ARG177 4.1 18.3 1.0
C B:GLY86 4.2 18.4 1.0
CA B:GLY86 4.3 22.4 1.0
O B:ASN87 4.6 9.5 1.0
CA B:ASN93 4.6 13.0 1.0
CG B:ARG84 4.6 13.3 1.0
OD1 B:ASN87 4.7 20.9 1.0
C B:PRO85 4.7 26.4 1.0
C B:ASN87 4.7 9.7 1.0
CA B:PRO85 4.7 24.5 1.0
O B:HOH407 4.8 35.3 1.0
CZ C:ARG177 4.9 18.5 1.0
CD B:ARG84 4.9 11.1 1.0
CB B:PRO85 4.9 25.3 1.0
O B:HOH406 5.0 20.8 1.0

Chlorine binding site 3 out of 8 in 4wgf

Go back to Chlorine Binding Sites List in 4wgf
Chlorine binding site 3 out of 8 in the Ycac From Pseudomonas Aeruginosa with Hexane-2,5-Diol and Covalent Acrylamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Ycac From Pseudomonas Aeruginosa with Hexane-2,5-Diol and Covalent Acrylamide within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl303

b:24.1
occ:1.00
 N C:ASN87 3.0 16.2 1.0
CD C:PRO85 3.3 20.7 1.0
ND2 C:ASN93 3.3 11.8 1.0
N C:GLY86 3.3 19.8 1.0
CB C:ASN87 3.5 17.9 1.0
ND2 C:ASN87 3.5 21.2 1.0
N C:PRO85 3.6 20.0 1.0
CB C:ARG84 3.7 14.0 1.0
CG C:ASN87 3.7 19.3 1.0
CA C:ARG84 3.8 16.1 1.0
CA C:ASN87 3.8 14.7 1.0
CG C:PRO85 3.9 20.8 1.0
C C:ARG84 3.9 19.1 1.0
C C:GLY86 3.9 18.6 1.0
CA C:GLY86 4.0 20.2 1.0
NH2 D:ARG177 4.1 16.7 1.0
CG C:ASN93 4.4 11.5 1.0
C C:PRO85 4.4 20.7 1.0
CB C:ASN93 4.5 20.9 1.0
CA C:PRO85 4.5 19.7 1.0
O C:ASN87 4.6 11.6 1.0
CZ D:ARG177 4.6 19.1 1.0
CG C:ARG84 4.6 13.9 1.0
OD1 C:ASN87 4.6 19.0 1.0
O C:ARG84 4.7 22.1 1.0
C C:ASN87 4.7 13.1 1.0
CB C:PRO85 4.9 19.1 1.0

Chlorine binding site 4 out of 8 in 4wgf

Go back to Chlorine Binding Sites List in 4wgf
Chlorine binding site 4 out of 8 in the Ycac From Pseudomonas Aeruginosa with Hexane-2,5-Diol and Covalent Acrylamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Ycac From Pseudomonas Aeruginosa with Hexane-2,5-Diol and Covalent Acrylamide within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl303

b:18.4
occ:1.00
 ND2 D:ASN87 2.9 20.6 1.0
N D:ASN87 3.0 17.1 1.0
ND2 D:ASN93 3.2 11.5 1.0
CD D:PRO85 3.3 15.3 1.0
CB D:ASN87 3.4 16.7 1.0
N D:GLY86 3.4 17.5 1.0
CG D:ASN87 3.6 19.5 1.0
N D:PRO85 3.7 16.6 1.0
CB D:ARG84 3.7 12.6 1.0
CA D:ASN87 3.8 17.5 1.0
CA D:ARG84 3.8 15.4 1.0
CG D:PRO85 3.8 17.9 1.0
NH2 A:ARG177 4.0 14.1 1.0
C D:ARG84 4.0 18.1 1.0
C D:GLY86 4.0 17.1 1.0
CA D:GLY86 4.1 16.8 1.0
CG D:ASN93 4.2 11.3 1.0
CB D:ASN93 4.4 11.0 1.0
C D:PRO85 4.5 19.1 1.0
CZ A:ARG177 4.5 14.9 1.0
O D:ASN87 4.6 18.8 1.0
CA D:PRO85 4.6 18.1 1.0
CG D:ARG84 4.6 10.5 1.0
C D:ASN87 4.7 18.8 1.0
OD1 D:ASN87 4.8 20.9 1.0
O D:ARG84 4.8 22.4 1.0
O D:HOH455 4.8 19.0 1.0
CB D:PRO85 4.9 18.8 1.0
O D:HOH479 4.9 22.0 1.0
NH1 A:ARG177 4.9 17.3 1.0
CD D:ARG84 5.0 9.9 1.0
CA D:ASN93 5.0 11.4 1.0

Chlorine binding site 5 out of 8 in 4wgf

Go back to Chlorine Binding Sites List in 4wgf
Chlorine binding site 5 out of 8 in the Ycac From Pseudomonas Aeruginosa with Hexane-2,5-Diol and Covalent Acrylamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Ycac From Pseudomonas Aeruginosa with Hexane-2,5-Diol and Covalent Acrylamide within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl302

b:18.8
occ:1.00
 ND2 E:ASN87 3.1 20.8 1.0
ND2 E:ASN93 3.1 12.1 1.0
N E:ASN87 3.2 19.4 1.0
CD E:PRO85 3.4 18.6 1.0
N E:GLY86 3.5 19.8 1.0
CB E:ASN87 3.5 16.6 1.0
CB E:ARG84 3.6 15.3 1.0
N E:PRO85 3.7 19.7 1.0
CA E:ARG84 3.7 16.9 1.0
CG E:ASN87 3.7 19.4 1.0
CA E:ASN87 3.9 15.8 1.0
C E:ARG84 3.9 18.4 1.0
CG E:PRO85 3.9 19.2 1.0
NH2 F:ARG177 4.0 13.6 1.0
C E:GLY86 4.1 19.8 1.0
CA E:GLY86 4.1 18.6 1.0
CG E:ASN93 4.2 14.6 1.0
CB E:ASN93 4.3 13.4 1.0
C E:PRO85 4.5 23.5 1.0
CG E:ARG84 4.5 13.9 1.0
CZ F:ARG177 4.6 17.4 1.0
O E:ASN87 4.6 12.3 1.0
CA E:PRO85 4.6 20.8 1.0
O E:ARG84 4.8 19.0 1.0
C E:ASN87 4.8 12.4 1.0
OD1 E:ASN87 4.9 20.2 1.0
CA E:ASN93 4.9 14.1 1.0
CD E:ARG84 4.9 10.6 1.0
CB E:PRO85 5.0 19.7 1.0
NH1 F:ARG177 5.0 19.2 1.0

Chlorine binding site 6 out of 8 in 4wgf

Go back to Chlorine Binding Sites List in 4wgf
Chlorine binding site 6 out of 8 in the Ycac From Pseudomonas Aeruginosa with Hexane-2,5-Diol and Covalent Acrylamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Ycac From Pseudomonas Aeruginosa with Hexane-2,5-Diol and Covalent Acrylamide within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl303

b:24.4
occ:1.00
 ND2 F:ASN93 3.0 11.1 1.0
ND2 F:ASN87 3.1 24.4 1.0
N F:ASN87 3.2 19.1 1.0
CD F:PRO85 3.4 17.8 1.0
CB F:ASN87 3.5 19.3 1.0
N F:GLY86 3.6 22.0 1.0
CB F:ARG84 3.6 13.0 1.0
CA F:ARG84 3.7 16.2 1.0
CG F:ASN87 3.7 22.2 1.0
N F:PRO85 3.8 18.3 1.0
CG F:PRO85 4.0 18.3 1.0
CA F:ASN87 4.0 17.5 1.0
C F:ARG84 4.0 17.9 1.0
CG F:ASN93 4.1 10.8 1.0
NH2 G:ARG177 4.1 17.8 1.0
C F:GLY86 4.2 18.9 1.0
CA F:GLY86 4.2 19.4 1.0
CB F:ASN93 4.3 12.6 1.0
CG F:ARG84 4.5 9.9 1.0
C F:PRO85 4.6 23.2 1.0
CA F:PRO85 4.7 19.6 1.0
CZ G:ARG177 4.7 17.6 1.0
O F:ASN87 4.7 13.7 1.0
O F:ARG84 4.8 22.1 1.0
C F:ASN87 4.9 14.2 1.0
CD F:ARG84 4.9 12.0 1.0
OD1 F:ASN87 4.9 21.6 1.0
CA F:ASN93 4.9 13.9 1.0

Chlorine binding site 7 out of 8 in 4wgf

Go back to Chlorine Binding Sites List in 4wgf
Chlorine binding site 7 out of 8 in the Ycac From Pseudomonas Aeruginosa with Hexane-2,5-Diol and Covalent Acrylamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Ycac From Pseudomonas Aeruginosa with Hexane-2,5-Diol and Covalent Acrylamide within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl303

b:31.2
occ:1.00
 ND2 G:ASN87 2.8 23.6 1.0
ND2 G:ASN93 2.9 10.1 1.0
N G:ASN87 3.3 11.2 1.0
CB G:ASN87 3.3 18.8 1.0
CD G:PRO85 3.4 15.1 1.0
CG G:ASN87 3.5 21.8 1.0
CG G:PRO85 3.8 17.7 1.0
N G:GLY86 3.8 25.5 1.0
CB G:ARG84 3.8 15.0 1.0
CA G:ASN87 3.9 12.8 1.0
CG G:ASN93 3.9 10.6 1.0
N G:PRO85 3.9 17.1 1.0
CB G:ASN93 4.0 10.6 1.0
CA G:ARG84 4.0 15.9 1.0
C G:ARG84 4.2 18.7 1.0
C G:GLY86 4.3 13.6 1.0
NH2 H:ARG177 4.4 17.8 1.0
CA G:GLY86 4.5 21.8 1.0
CA G:ASN93 4.5 12.0 1.0
O G:ASN87 4.6 9.2 1.0
CG G:ARG84 4.7 12.0 1.0
OD1 G:ASN87 4.7 20.4 1.0
C G:ASN87 4.8 10.0 1.0
C G:PRO85 4.8 25.8 1.0
CA G:PRO85 4.8 20.5 1.0
O G:HOH415 4.8 26.9 1.0
CB G:PRO85 4.9 20.9 1.0
CD G:ARG84 4.9 8.6 1.0
O G:HOH478 5.0 18.7 1.0

Chlorine binding site 8 out of 8 in 4wgf

Go back to Chlorine Binding Sites List in 4wgf
Chlorine binding site 8 out of 8 in the Ycac From Pseudomonas Aeruginosa with Hexane-2,5-Diol and Covalent Acrylamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Ycac From Pseudomonas Aeruginosa with Hexane-2,5-Diol and Covalent Acrylamide within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl303

b:23.8
occ:1.00
 ND2 H:ASN87 3.0 26.7 1.0
N H:ASN87 3.1 15.3 1.0
ND2 H:ASN93 3.1 12.4 1.0
CD H:PRO85 3.4 22.3 1.0
N H:GLY86 3.4 25.6 1.0
CB H:ASN87 3.4 21.3 1.0
CG H:ASN87 3.6 25.0 1.0
N H:PRO85 3.7 22.8 1.0
CB H:ARG84 3.7 11.7 1.0
CA H:ARG84 3.8 15.0 1.0
CA H:ASN87 3.8 12.0 1.0
CG H:PRO85 3.9 22.0 1.0
C H:ARG84 4.0 18.7 1.0
C H:GLY86 4.0 17.6 1.0
CA H:GLY86 4.0 22.7 1.0
NH2 E:ARG177 4.1 22.6 1.0
CG H:ASN93 4.2 19.2 1.0
CB H:ASN93 4.3 11.8 1.0
C H:PRO85 4.5 28.6 1.0
CA H:PRO85 4.6 25.3 1.0
O H:ASN87 4.6 11.3 1.0
CG H:ARG84 4.6 11.3 1.0
CZ E:ARG177 4.7 22.5 1.0
C H:ASN87 4.8 17.4 1.0
OD1 H:ASN87 4.8 24.8 1.0
O H:ARG84 4.8 20.9 1.0
CB H:PRO85 4.9 22.4 1.0
CA H:ASN93 5.0 13.2 1.0

Reference:

M.K.Grftehauge, D.Truan, A.Vasil, P.W.Denny, M.L.Vasil, E.Pohl. Crystal Structure of A Hidden Protein, Ycac, A Putative Cysteine Hydrolase From Pseudomonas Aeruginosa, with and Without An Acrylamide Adduct. Int J Mol Sci V. 16 15971 2015.
ISSN: ESSN 1422-0067
PubMed: 26184183
DOI: 10.3390/IJMS160715971
Page generated: Fri Jul 26 02:53:45 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy