Atomistry » Chlorine » PDB 3o6j-3ohg » 3oex
Atomistry »
  Chlorine »
    PDB 3o6j-3ohg »
      3oex »

Chlorine in PDB 3oex: Crystal Structure of Type I 3-Dehydroquinate Dehydratase (Arod) From Salmonella Typhimurium with Close Loop Conformation.

Enzymatic activity of Crystal Structure of Type I 3-Dehydroquinate Dehydratase (Arod) From Salmonella Typhimurium with Close Loop Conformation.

All present enzymatic activity of Crystal Structure of Type I 3-Dehydroquinate Dehydratase (Arod) From Salmonella Typhimurium with Close Loop Conformation.:
4.2.1.10;

Protein crystallography data

The structure of Crystal Structure of Type I 3-Dehydroquinate Dehydratase (Arod) From Salmonella Typhimurium with Close Loop Conformation., PDB code: 3oex was solved by G.Minasov, S.H.Light, L.Shuvalova, L.Papazisi, W.F.Anderson, Center Forstructural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.53 / 1.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 64.147, 75.757, 94.263, 90.00, 102.65, 90.00
R / Rfree (%) 15.2 / 20.4

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Type I 3-Dehydroquinate Dehydratase (Arod) From Salmonella Typhimurium with Close Loop Conformation. (pdb code 3oex). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Type I 3-Dehydroquinate Dehydratase (Arod) From Salmonella Typhimurium with Close Loop Conformation., PDB code: 3oex:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 3oex

Go back to Chlorine Binding Sites List in 3oex
Chlorine binding site 1 out of 4 in the Crystal Structure of Type I 3-Dehydroquinate Dehydratase (Arod) From Salmonella Typhimurium with Close Loop Conformation.


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 Type I 3-Dehydroquinate Dehydratase (Arod) From Salmonella Typhimurium with Close Loop Conformation. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl253

b:17.0
occ:1.00
 O A:HOH354 3.0 31.6 1.0
NH1 A:ARG213 3.1 13.5 1.0
NH2 A:ARG213 3.3 15.0 1.0
NE2 A:GLN236 3.3 12.1 1.0
CZ A:ARG213 3.6 14.1 1.0
CB A:ALA233 3.6 16.2 1.0
CE A:MET203 3.8 16.6 1.0
CB A:PHE225 4.0 13.4 1.0
CG A:PHE225 4.1 13.6 1.0
CD1 A:PHE225 4.3 17.5 1.0
CG A:MET203 4.3 14.6 1.0
CG A:GLN236 4.3 12.3 1.0
CD A:GLN236 4.3 15.1 1.0
SD A:MET203 4.6 19.2 1.0
CD2 A:PHE225 4.7 15.9 1.0
CA A:ALA233 4.9 14.7 1.0
NE A:ARG213 4.9 8.8 1.0
CE1 A:PHE225 5.0 17.8 1.0

Chlorine binding site 2 out of 4 in 3oex

Go back to Chlorine Binding Sites List in 3oex
Chlorine binding site 2 out of 4 in the Crystal Structure of Type I 3-Dehydroquinate Dehydratase (Arod) From Salmonella Typhimurium with Close Loop Conformation.


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 Type I 3-Dehydroquinate Dehydratase (Arod) From Salmonella Typhimurium with Close Loop Conformation. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl253

b:30.6
occ:1.00
 O B:HOH291 3.1 32.4 1.0
NE2 B:GLN236 3.1 27.0 1.0
NH1 B:ARG213 3.2 19.2 1.0
NH2 B:ARG213 3.5 24.7 1.0
CB B:ALA233 3.6 31.4 1.0
CZ B:ARG213 3.8 24.2 1.0
CB B:PHE225 3.9 16.4 1.0
CG B:PHE225 3.9 17.1 1.0
CD1 B:PHE225 4.0 19.5 1.0
CE B:MET203 4.1 29.8 1.0
CD B:GLN236 4.1 27.3 1.0
CG B:GLN236 4.2 28.0 1.0
CG B:MET203 4.3 19.7 1.0
CD2 B:PHE225 4.6 21.3 1.0
SD B:MET203 4.7 32.3 1.0
CE1 B:PHE225 4.8 22.2 1.0
CA B:ALA233 4.9 32.0 1.0

Chlorine binding site 3 out of 4 in 3oex

Go back to Chlorine Binding Sites List in 3oex
Chlorine binding site 3 out of 4 in the Crystal Structure of Type I 3-Dehydroquinate Dehydratase (Arod) From Salmonella Typhimurium with Close Loop Conformation.


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 Type I 3-Dehydroquinate Dehydratase (Arod) From Salmonella Typhimurium with Close Loop Conformation. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl253

b:19.1
occ:1.00
 O C:HOH324 3.1 28.6 1.0
NH1 C:ARG213 3.1 14.9 1.0
NH2 C:ARG213 3.3 14.7 1.0
NE2 C:GLN236 3.3 14.5 1.0
CB C:ALA233 3.5 15.3 1.0
CZ C:ARG213 3.6 15.5 1.0
CE C:MET203 4.0 20.9 1.0
CB C:PHE225 4.1 11.7 1.0
CG C:PHE225 4.2 13.2 1.0
CG C:MET203 4.3 12.7 1.0
CD C:GLN236 4.3 13.2 1.0
CD1 C:PHE225 4.3 13.5 1.0
CG C:GLN236 4.4 13.9 1.0
SD C:MET203 4.7 20.2 1.0
CD2 C:PHE225 4.8 15.9 1.0
CA C:ALA233 4.9 16.0 1.0
NE C:ARG213 4.9 10.8 1.0
CG C:MET205 5.0 11.8 1.0
SD C:MET205 5.0 16.3 1.0

Chlorine binding site 4 out of 4 in 3oex

Go back to Chlorine Binding Sites List in 3oex
Chlorine binding site 4 out of 4 in the Crystal Structure of Type I 3-Dehydroquinate Dehydratase (Arod) From Salmonella Typhimurium with Close Loop Conformation.


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 Type I 3-Dehydroquinate Dehydratase (Arod) From Salmonella Typhimurium with Close Loop Conformation. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl253

b:28.0
occ:0.50
 O D:HOH774 2.7 30.6 0.5
O D:HOH281 3.1 38.0 1.0
NH1 D:ARG213 3.2 35.8 1.0
CB D:ALA233 3.3 48.7 1.0
NE2 D:GLN236 3.3 45.7 1.0
NH2 D:ARG213 3.8 38.4 1.0
CZ D:ARG213 4.0 35.9 1.0
CG D:PHE225 4.0 23.5 1.0
CB D:PHE225 4.0 21.7 1.0
CD1 D:PHE225 4.0 27.6 1.0
CE D:MET203 4.1 37.7 1.0
CG D:MET203 4.2 22.2 1.0
CD D:GLN236 4.4 46.4 1.0
CG D:GLN236 4.5 41.6 1.0
CD2 D:PHE225 4.6 25.8 1.0
CA D:ALA233 4.6 49.4 1.0
SD D:MET203 4.6 40.4 1.0
CE1 D:PHE225 4.7 27.9 1.0
O D:HOH273 4.9 27.9 1.0
N D:ALA233 4.9 49.5 1.0
O D:ALA233 5.0 48.2 1.0

Reference:

S.H.Light, G.Minasov, L.Shuvalova, S.N.Peterson, M.Caffrey, W.F.Anderson, A.Lavie. A Conserved Surface Loop in Type I Dehydroquinate Dehydratases Positions An Active Site Arginine and Functions in Substrate Binding. Biochemistry V. 50 2357 2011.
ISSN: ISSN 0006-2960
PubMed: 21291284
DOI: 10.1021/BI102020S
Page generated: Sun Jul 21 01:37:27 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