Chlorine in PDB 7jtt: The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex F9 Inhibitor at the Alpha-Site and Cesium Ion at the Metal Coordination Site. the Single Beta-Q114 Rotamer Conformation Allows A Hydrogen Bond to Form with the Plp Oxygen at the Position 3 in the Ring

Enzymatic activity of The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex F9 Inhibitor at the Alpha-Site and Cesium Ion at the Metal Coordination Site. the Single Beta-Q114 Rotamer Conformation Allows A Hydrogen Bond to Form with the Plp Oxygen at the Position 3 in the Ring

All present enzymatic activity of The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex F9 Inhibitor at the Alpha-Site and Cesium Ion at the Metal Coordination Site. the Single Beta-Q114 Rotamer Conformation Allows A Hydrogen Bond to Form with the Plp Oxygen at the Position 3 in the Ring:
4.2.1.20;

Protein crystallography data

The structure of The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex F9 Inhibitor at the Alpha-Site and Cesium Ion at the Metal Coordination Site. the Single Beta-Q114 Rotamer Conformation Allows A Hydrogen Bond to Form with the Plp Oxygen at the Position 3 in the Ring, PDB code: 7jtt was solved by E.Hilario, M.F.Dunn, L.J.Mueller, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.82 / 1.64
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 180.749, 57.85, 67.11, 90, 94.54, 90
R / Rfree (%) 18.8 / 21.8

Other elements in 7jtt:

The structure of The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex F9 Inhibitor at the Alpha-Site and Cesium Ion at the Metal Coordination Site. the Single Beta-Q114 Rotamer Conformation Allows A Hydrogen Bond to Form with the Plp Oxygen at the Position 3 in the Ring also contains other interesting chemical elements:

Fluorine (F) 3 atoms
Caesium (Cs) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex F9 Inhibitor at the Alpha-Site and Cesium Ion at the Metal Coordination Site. the Single Beta-Q114 Rotamer Conformation Allows A Hydrogen Bond to Form with the Plp Oxygen at the Position 3 in the Ring (pdb code 7jtt). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex F9 Inhibitor at the Alpha-Site and Cesium Ion at the Metal Coordination Site. the Single Beta-Q114 Rotamer Conformation Allows A Hydrogen Bond to Form with the Plp Oxygen at the Position 3 in the Ring, PDB code: 7jtt:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 7jtt

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Chlorine binding site 1 out of 4 in the The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex F9 Inhibitor at the Alpha-Site and Cesium Ion at the Metal Coordination Site. the Single Beta-Q114 Rotamer Conformation Allows A Hydrogen Bond to Form with the Plp Oxygen at the Position 3 in the Ring


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex F9 Inhibitor at the Alpha-Site and Cesium Ion at the Metal Coordination Site. the Single Beta-Q114 Rotamer Conformation Allows A Hydrogen Bond to Form with the Plp Oxygen at the Position 3 in the Ring within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl307

b:51.7
occ:1.00
 N A:LEU193 3.7 29.5 1.0
CB A:LEU193 4.0 30.5 1.0
OE1 A:GLN210 4.1 18.3 1.0
CG A:LEU193 4.1 30.9 1.0
CB A:ALA226 4.2 20.0 1.0
CD1 A:LEU193 4.2 32.3 1.0
CE1 A:HIS194 4.3 28.1 0.5
CA A:PRO192 4.4 37.1 1.0
CA A:LEU193 4.4 29.1 1.0
C A:PRO192 4.5 33.6 1.0
O A:LEU191 4.5 40.5 1.0
ND1 A:HIS194 4.6 29.2 0.5
O A:HOH465 4.6 17.9 1.0
CD A:GLN210 4.7 18.4 1.0
NE2 A:GLN210 4.7 19.4 1.0
O A:HOH487 4.8 43.5 1.0
O A:HOH430 4.8 30.5 1.0
O A:ALA222 4.9 17.1 1.0
O A:HOH463 4.9 27.1 1.0
O A:HOH620 5.0 27.2 1.0

Chlorine binding site 2 out of 4 in 7jtt

Go back to Chlorine Binding Sites List in 7jtt
Chlorine binding site 2 out of 4 in the The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex F9 Inhibitor at the Alpha-Site and Cesium Ion at the Metal Coordination Site. the Single Beta-Q114 Rotamer Conformation Allows A Hydrogen Bond to Form with the Plp Oxygen at the Position 3 in the Ring


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex F9 Inhibitor at the Alpha-Site and Cesium Ion at the Metal Coordination Site. the Single Beta-Q114 Rotamer Conformation Allows A Hydrogen Bond to Form with the Plp Oxygen at the Position 3 in the Ring within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl308

b:30.3
occ:1.00
 O A:HOH592 2.8 51.2 1.0
O A:ALA167 3.1 26.8 1.0
O A:GLY170 3.1 25.8 1.0
O A:HIS204 3.6 23.4 1.0
N A:ALA206 3.9 21.9 1.0
C A:GLY170 4.2 25.1 1.0
O A:HOH494 4.2 35.1 1.0
C A:ALA205 4.3 22.3 1.0
C A:ALA167 4.3 27.5 1.0
CA A:ALA205 4.4 23.3 1.0
NH2 A:ARG171 4.5 34.4 1.0
CD A:ARG171 4.5 30.1 1.0
O A:SER168 4.6 28.4 1.0
C A:HIS204 4.6 25.7 1.0
CA A:ALA206 4.7 20.9 1.0
CB A:ALA206 4.7 21.1 1.0
CA A:ARG171 4.9 22.2 1.0
C A:SER168 4.9 28.4 1.0

Chlorine binding site 3 out of 4 in 7jtt

Go back to Chlorine Binding Sites List in 7jtt
Chlorine binding site 3 out of 4 in the The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex F9 Inhibitor at the Alpha-Site and Cesium Ion at the Metal Coordination Site. the Single Beta-Q114 Rotamer Conformation Allows A Hydrogen Bond to Form with the Plp Oxygen at the Position 3 in the Ring


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex F9 Inhibitor at the Alpha-Site and Cesium Ion at the Metal Coordination Site. the Single Beta-Q114 Rotamer Conformation Allows A Hydrogen Bond to Form with the Plp Oxygen at the Position 3 in the Ring within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl431

b:51.3
occ:1.00
 O B:HOH883 3.5 37.5 1.0
CG B:GLN215 4.0 13.3 1.0
CG B:GLU211 4.3 12.8 1.0
O B:HOH793 4.4 36.6 1.0
CA B:GLU211 4.4 13.3 1.0
O B:GLU211 4.4 12.6 1.0
CD B:GLN215 4.4 14.7 1.0
CB B:ALA214 4.5 16.1 1.0
CB B:PRO56 4.5 13.3 1.0
CB B:GLU211 4.5 12.8 1.0
NE2 B:GLN215 4.6 15.2 1.0
CG B:PRO56 4.8 14.4 1.0
C B:GLU211 4.9 12.9 1.0

Chlorine binding site 4 out of 4 in 7jtt

Go back to Chlorine Binding Sites List in 7jtt
Chlorine binding site 4 out of 4 in the The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex F9 Inhibitor at the Alpha-Site and Cesium Ion at the Metal Coordination Site. the Single Beta-Q114 Rotamer Conformation Allows A Hydrogen Bond to Form with the Plp Oxygen at the Position 3 in the Ring


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex F9 Inhibitor at the Alpha-Site and Cesium Ion at the Metal Coordination Site. the Single Beta-Q114 Rotamer Conformation Allows A Hydrogen Bond to Form with the Plp Oxygen at the Position 3 in the Ring within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl432

b:63.9
occ:1.00
 C2 B:DMS428 3.5 65.8 1.0
O B:HOH544 3.6 14.0 1.0
NZ B:LYS368 4.0 15.5 1.0
O B:HOH528 4.1 21.8 1.0
O B:HOH592 4.1 15.9 1.0
OE1 B:GLN365 4.4 13.2 1.0
O1 B:EDO422 4.5 35.8 1.0
C1 B:EDO422 4.6 39.1 1.0
O B:HOH848 4.8 30.9 1.0

Reference:

E.Hilario, M.F.Dunn, L.J.Mueller. The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex F9 Inhibitor at the Alpha-Site and Cesium Ion at the Metal Coordination Site. the Single Beta-Q114 Rotamer Conformation Allows A Hydrogen Bond to Form with the Plp Oxygen at the Position 3 in the Ring. To Be Published.
Page generated: Fri Sep 24 12:52:54 2021

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