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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: Fri Jul 11 08:40:54 2025

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