Atomistry » Chlorine » PDB 4wcu-4wki » 4wh0
Atomistry »
  Chlorine »
    PDB 4wcu-4wki »
      4wh0 »

Chlorine in PDB 4wh0: Ycac From Pseudomonas Aeruginosa with S-Mercaptocysteine Active Site Cysteine

Protein crystallography data

The structure of Ycac From Pseudomonas Aeruginosa with S-Mercaptocysteine Active Site Cysteine, PDB code: 4wh0 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) 48.05 / 2.56
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 74.460, 114.530, 96.160, 90.00, 91.90, 90.00
R / Rfree (%) 14.6 / 19.1

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Ycac From Pseudomonas Aeruginosa with S-Mercaptocysteine Active Site Cysteine (pdb code 4wh0). 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 S-Mercaptocysteine Active Site Cysteine, PDB code: 4wh0:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 4wh0

Go back to Chlorine Binding Sites List in 4wh0
Chlorine binding site 1 out of 8 in the Ycac From Pseudomonas Aeruginosa with S-Mercaptocysteine Active Site Cysteine


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 S-Mercaptocysteine Active Site Cysteine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:41.2
occ:1.00
 ND2 A:ASN93 3.0 15.1 1.0
ND2 A:ASN87 3.2 28.1 1.0
N A:ASN87 3.2 22.9 1.0
CD A:PRO85 3.4 20.3 1.0
CB A:ARG84 3.5 15.9 1.0
N A:GLY86 3.5 36.6 1.0
CB A:ASN87 3.6 25.0 1.0
CA A:ARG84 3.6 19.1 1.0
N A:PRO85 3.7 23.0 1.0
CG A:ASN87 3.8 30.6 1.0
C A:ARG84 3.9 23.5 1.0
CA A:ASN87 4.0 23.3 1.0
CG A:PRO85 4.0 21.4 1.0
CG A:ASN93 4.1 20.1 1.0
C A:GLY86 4.1 27.4 1.0
CA A:GLY86 4.1 33.9 1.0
NH2 B:ARG177 4.1 33.5 1.0
CB A:ASN93 4.2 21.2 1.0
CG A:ARG84 4.3 19.8 1.0
C A:PRO85 4.5 37.7 1.0
CA A:PRO85 4.7 29.4 1.0
O A:ASN87 4.7 30.0 1.0
CD A:ARG84 4.7 18.8 1.0
CZ B:ARG177 4.8 35.3 1.0
O A:ARG84 4.8 29.9 1.0
C A:ASN87 4.8 25.5 1.0
CA A:ASN93 5.0 16.9 1.0
N A:ARG84 5.0 17.5 1.0

Chlorine binding site 2 out of 8 in 4wh0

Go back to Chlorine Binding Sites List in 4wh0
Chlorine binding site 2 out of 8 in the Ycac From Pseudomonas Aeruginosa with S-Mercaptocysteine Active Site Cysteine


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 S-Mercaptocysteine Active Site Cysteine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:33.3
occ:1.00
 ND2 B:ASN93 3.0 24.0 1.0
ND2 B:ASN87 3.2 38.0 1.0
N B:ASN87 3.2 31.7 1.0
CD B:PRO85 3.3 23.8 1.0
N B:GLY86 3.5 39.4 1.0
CB B:ASN87 3.6 33.4 1.0
CB B:ARG84 3.7 22.1 1.0
N B:PRO85 3.8 29.0 1.0
CA B:ARG84 3.8 23.7 1.0
CG B:ASN87 3.9 38.2 1.0
CG B:PRO85 3.9 26.1 1.0
CA B:ASN87 4.0 29.7 1.0
CG B:ASN93 4.0 23.1 1.0
C B:ARG84 4.1 28.0 1.0
CA B:GLY86 4.1 40.5 1.0
C B:GLY86 4.1 36.2 1.0
NH2 C:ARG177 4.1 33.7 1.0
CB B:ASN93 4.3 23.7 1.0
CG B:ARG84 4.5 22.2 1.0
C B:PRO85 4.6 38.0 1.0
CA B:PRO85 4.7 31.6 1.0
CZ C:ARG177 4.7 37.6 1.0
O B:ASN87 4.7 25.6 1.0
CD B:ARG84 4.9 18.9 1.0
C B:ASN87 4.9 27.0 1.0
CA B:ASN93 4.9 23.4 1.0
O B:ARG84 4.9 33.3 1.0
CB B:PRO85 5.0 27.4 1.0

Chlorine binding site 3 out of 8 in 4wh0

Go back to Chlorine Binding Sites List in 4wh0
Chlorine binding site 3 out of 8 in the Ycac From Pseudomonas Aeruginosa with S-Mercaptocysteine Active Site Cysteine


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 S-Mercaptocysteine Active Site Cysteine within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl301

b:38.5
occ:1.00
 N C:ASN87 3.0 24.0 1.0
ND2 C:ASN87 3.2 25.1 1.0
ND2 C:ASN93 3.3 15.9 1.0
CD C:PRO85 3.3 29.0 1.0
N C:GLY86 3.3 30.8 1.0
CB C:ARG84 3.5 20.1 1.0
CB C:ASN87 3.5 21.2 1.0
N C:PRO85 3.6 29.4 1.0
CA C:ARG84 3.6 23.1 1.0
C C:ARG84 3.8 29.0 1.0
CG C:ASN87 3.8 26.1 1.0
CA C:ASN87 3.9 21.6 1.0
CA C:GLY86 3.9 28.0 1.0
C C:GLY86 3.9 24.4 1.0
CG C:PRO85 3.9 27.0 1.0
NH2 D:ARG177 4.2 35.2 1.0
CG C:ASN93 4.3 22.4 1.0
C C:PRO85 4.4 33.1 1.0
CG C:ARG84 4.4 24.2 1.0
CA C:PRO85 4.5 30.4 1.0
CB C:ASN93 4.5 22.4 1.0
O C:ASN87 4.6 20.0 1.0
O C:ARG84 4.7 37.5 1.0
CZ D:ARG177 4.8 38.4 1.0
C C:ASN87 4.8 19.4 1.0
CD C:ARG84 4.8 27.1 1.0
CB C:PRO85 4.9 25.3 1.0

Chlorine binding site 4 out of 8 in 4wh0

Go back to Chlorine Binding Sites List in 4wh0
Chlorine binding site 4 out of 8 in the Ycac From Pseudomonas Aeruginosa with S-Mercaptocysteine Active Site Cysteine


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 S-Mercaptocysteine Active Site Cysteine within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl301

b:33.8
occ:1.00
 N D:ASN87 3.0 20.4 1.0
ND2 D:ASN87 3.1 21.2 1.0
ND2 D:ASN93 3.2 19.6 1.0
N D:GLY86 3.4 27.3 1.0
CD D:PRO85 3.4 21.6 1.0
CB D:ASN87 3.5 17.8 1.0
CB D:ARG84 3.7 19.8 1.0
CG D:ASN87 3.7 21.1 1.0
N D:PRO85 3.8 24.1 1.0
CA D:ASN87 3.8 17.8 1.0
CA D:ARG84 3.8 20.5 1.0
C D:GLY86 3.9 27.7 1.0
CG D:PRO85 3.9 23.6 1.0
CA D:GLY86 3.9 26.8 1.0
C D:ARG84 4.0 22.5 1.0
NH2 A:ARG177 4.0 30.3 1.0
CG D:ASN93 4.2 22.1 1.0
CB D:ASN93 4.4 21.2 1.0
C D:PRO85 4.4 33.7 1.0
CG D:ARG84 4.6 16.5 1.0
CA D:PRO85 4.6 28.3 1.0
CZ A:ARG177 4.6 32.5 1.0
O D:ASN87 4.6 26.3 1.0
C D:ASN87 4.8 21.9 1.0
O D:ARG84 4.8 28.0 1.0
CD D:ARG84 4.9 14.8 1.0
OD1 D:ASN87 4.9 23.7 1.0
CB D:PRO85 4.9 24.9 1.0
NH1 A:ARG177 5.0 28.4 1.0

Chlorine binding site 5 out of 8 in 4wh0

Go back to Chlorine Binding Sites List in 4wh0
Chlorine binding site 5 out of 8 in the Ycac From Pseudomonas Aeruginosa with S-Mercaptocysteine Active Site Cysteine


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 S-Mercaptocysteine Active Site Cysteine within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl301

b:47.1
occ:1.00
 ND2 E:ASN87 2.9 33.5 1.0
ND2 E:ASN93 3.1 19.2 1.0
N E:ASN87 3.1 30.2 1.0
CB E:ASN87 3.4 26.8 1.0
CG E:ASN87 3.6 31.0 1.0
CD E:PRO85 3.6 29.2 1.0
N E:GLY86 3.6 38.0 1.0
CB E:ARG84 3.7 21.2 1.0
CA E:ASN87 3.8 27.0 1.0
NH2 F:ARG177 3.9 40.5 1.0
CA E:ARG84 4.0 22.1 1.0
N E:PRO85 4.0 30.1 1.0
C E:GLY86 4.1 33.0 1.0
CG E:PRO85 4.1 31.5 1.0
CA E:GLY86 4.1 35.7 1.0
CG E:ASN93 4.1 19.0 1.0
C E:ARG84 4.2 26.0 1.0
CB E:ASN93 4.3 18.5 1.0
CG E:ARG84 4.6 22.1 1.0
C E:PRO85 4.7 43.0 1.0
CZ F:ARG177 4.7 43.9 1.0
O E:ASN87 4.7 30.4 1.0
OD1 E:ASN87 4.8 31.0 1.0
C E:ASN87 4.8 27.0 1.0
CA E:PRO85 4.8 38.0 1.0
CD E:ARG84 4.9 23.7 1.0
CA E:ASN93 4.9 21.3 1.0

Chlorine binding site 6 out of 8 in 4wh0

Go back to Chlorine Binding Sites List in 4wh0
Chlorine binding site 6 out of 8 in the Ycac From Pseudomonas Aeruginosa with S-Mercaptocysteine Active Site Cysteine


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 S-Mercaptocysteine Active Site Cysteine within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl301

b:38.4
occ:1.00
 ND2 F:ASN87 3.1 38.4 1.0
N F:ASN87 3.1 31.5 1.0
ND2 F:ASN93 3.2 22.4 1.0
N F:GLY86 3.4 35.9 1.0
CD F:PRO85 3.5 28.6 1.0
CB F:ASN87 3.6 30.6 1.0
CB F:ARG84 3.7 27.8 1.0
CG F:ASN87 3.8 36.8 1.0
N F:PRO85 3.8 29.2 1.0
CA F:ARG84 3.9 25.2 1.0
NH2 G:ARG177 4.0 31.0 1.0
CA F:ASN87 4.0 30.6 1.0
CA F:GLY86 4.0 39.5 1.0
CG F:PRO85 4.0 28.0 1.0
C F:GLY86 4.0 35.0 1.0
C F:ARG84 4.1 28.6 1.0
CG F:ASN93 4.2 32.1 1.0
CB F:ASN93 4.4 26.0 1.0
C F:PRO85 4.5 34.5 1.0
CG F:ARG84 4.6 29.6 1.0
CZ G:ARG177 4.6 35.6 1.0
CA F:PRO85 4.7 30.5 1.0
O F:ASN87 4.8 27.6 1.0
CD F:ARG84 4.9 27.6 1.0
C F:ASN87 4.9 29.9 1.0
O F:ARG84 4.9 31.1 1.0
OD1 F:ASN87 4.9 39.8 1.0
CB F:PRO85 5.0 28.3 1.0

Chlorine binding site 7 out of 8 in 4wh0

Go back to Chlorine Binding Sites List in 4wh0
Chlorine binding site 7 out of 8 in the Ycac From Pseudomonas Aeruginosa with S-Mercaptocysteine Active Site Cysteine


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 S-Mercaptocysteine Active Site Cysteine within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl301

b:45.9
occ:1.00
 ND2 G:ASN87 3.0 38.0 1.0
N G:ASN87 3.1 34.0 1.0
ND2 G:ASN93 3.2 30.9 1.0
CD G:PRO85 3.5 40.2 1.0
N G:GLY86 3.5 43.2 1.0
CB G:ASN87 3.5 30.1 1.0
CG G:ASN87 3.7 35.1 1.0
CB G:ARG84 3.7 33.0 1.0
N G:PRO85 3.8 38.3 1.0
CA G:ASN87 3.9 27.9 1.0
CA G:ARG84 3.9 35.1 1.0
C G:GLY86 4.0 35.7 1.0
CG G:PRO85 4.0 39.6 1.0
CA G:GLY86 4.0 40.4 1.0
C G:ARG84 4.1 38.5 1.0
NH2 H:ARG177 4.1 47.5 1.0
CG G:ASN93 4.2 31.4 1.0
CB G:ASN93 4.4 30.1 1.0
CG G:ARG84 4.5 32.4 1.0
C G:PRO85 4.5 45.7 1.0
CZ H:ARG177 4.7 48.2 1.0
O G:ASN87 4.7 31.2 1.0
CA G:PRO85 4.7 38.7 1.0
C G:ASN87 4.8 29.8 1.0
CD G:ARG84 4.8 31.1 1.0
OD1 G:ASN87 4.8 35.9 1.0
NH1 H:ARG177 4.9 49.8 1.0
O G:ARG84 5.0 43.5 1.0

Chlorine binding site 8 out of 8 in 4wh0

Go back to Chlorine Binding Sites List in 4wh0
Chlorine binding site 8 out of 8 in the Ycac From Pseudomonas Aeruginosa with S-Mercaptocysteine Active Site Cysteine


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 S-Mercaptocysteine Active Site Cysteine within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl301

b:37.4
occ:1.00
 N H:ASN87 3.1 31.1 1.0
ND2 H:ASN87 3.1 35.8 1.0
ND2 H:ASN93 3.2 30.5 1.0
CD H:PRO85 3.3 25.6 1.0
N H:GLY86 3.4 38.4 1.0
CB H:ASN87 3.6 31.1 1.0
CB H:ARG84 3.7 23.8 1.0
N H:PRO85 3.7 27.5 1.0
CA H:ARG84 3.8 24.9 1.0
CG H:ASN87 3.8 33.6 1.0
CA H:ASN87 3.9 29.8 1.0
CG H:PRO85 3.9 27.4 1.0
C H:ARG84 4.0 26.3 1.0
C H:GLY86 4.0 37.3 1.0
CA H:GLY86 4.0 37.6 1.0
NH2 E:ARG177 4.1 34.4 1.0
CG H:ASN93 4.3 29.4 1.0
CB H:ASN93 4.4 29.6 1.0
C H:PRO85 4.5 39.1 1.0
CG H:ARG84 4.6 23.7 1.0
CA H:PRO85 4.6 32.2 1.0
CZ E:ARG177 4.6 36.7 1.0
O H:ASN87 4.7 27.0 1.0
O H:ARG84 4.8 32.4 1.0
C H:ASN87 4.8 28.2 1.0
NH1 E:ARG177 4.9 40.7 1.0
CB H:PRO85 4.9 29.6 1.0
CD H:ARG84 5.0 23.4 1.0
OD1 H:ASN87 5.0 31.1 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 02:54:07 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy