Chlorine in PDB 7jqw: The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with 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 with 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 with 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 with 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: 7jqw 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) 39.22 / 1.70
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 182.714, 58.653, 67.03, 90, 94.98, 90
R / Rfree (%) 19.4 / 23

Other elements in 7jqw:

The structure of The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with 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:

Caesium (Cs) 3 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

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 with 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 7jqw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 12 binding sites of Chlorine where determined in the The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with 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: 7jqw:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 12 in 7jqw

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Chlorine binding site 1 out of 12 in the The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with 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 with 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:45.7
occ:1.00
 O A:HOH438 3.7 22.5 1.0
N A:ILE111 3.8 17.8 1.0
CE1 A:PHE107 4.0 18.6 1.0
CG1 A:ILE111 4.1 14.2 1.0
CD1 A:PHE107 4.2 19.4 1.0
CA A:GLY110 4.2 19.4 1.0
CD1 A:ILE111 4.3 16.5 1.0
O B:HOH671 4.3 35.6 1.0
CB A:ILE111 4.4 14.5 1.0
C A:GLY110 4.5 19.7 1.0
CA A:ILE111 4.7 16.1 1.0
CZ A:PHE107 4.9 19.3 1.0
O A:PHE107 5.0 23.4 1.0

Chlorine binding site 2 out of 12 in 7jqw

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Chlorine binding site 2 out of 12 in the The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with 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 with 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:42.7
occ:1.00
 CG A:PRO138 4.0 23.3 1.0
CD1 A:ILE111 4.0 16.5 1.0
O A:HOH424 4.1 23.8 1.0
NZ B:LYS283 4.1 26.7 1.0
OH B:TYR16 4.1 17.1 1.0
O B:HOH579 4.3 41.8 1.0
CB A:PRO138 4.4 21.7 1.0
CE1 A:PHE107 4.6 18.6 1.0
CD B:LYS283 4.6 14.9 1.0
CD1 A:PHE107 4.8 19.4 1.0
CE B:LYS283 4.9 19.8 1.0
CD1 B:ILE278 4.9 18.6 1.0
CE1 A:PHE139 5.0 16.9 1.0

Chlorine binding site 3 out of 12 in 7jqw

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Chlorine binding site 3 out of 12 in the The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with 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 with 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:Cl309

b:57.4
occ:1.00
 O A:GLY170 3.2 28.8 1.0
NH2 A:ARG171 3.4 54.0 1.0
O A:HOH414 3.6 43.9 1.0
O A:ALA167 3.7 38.0 1.0
O A:HIS204 3.8 28.4 1.0
N A:ALA206 4.3 28.3 1.0
C A:GLY170 4.4 26.7 1.0
CZ A:ARG171 4.5 52.9 1.0
O A:HOH490 4.7 44.5 1.0
C A:ALA205 4.7 26.4 1.0
O A:SER168 4.7 39.6 1.0
CG A:ARG171 4.7 33.8 1.0
C A:ALA167 4.9 31.1 1.0
CA A:ALA205 4.9 24.6 1.0
CA A:ALA206 4.9 28.5 1.0
CA A:ARG171 5.0 21.7 1.0
C A:HIS204 5.0 28.2 1.0
CD A:ARG171 5.0 40.7 1.0
CB A:ALA206 5.0 24.5 1.0

Chlorine binding site 4 out of 12 in 7jqw

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Chlorine binding site 4 out of 12 in the The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with 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 with 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:Cl310

b:49.0
occ:1.00
 OG1 A:THR94 2.7 33.4 1.0
N A:ILE95 3.5 18.3 1.0
N A:THR94 3.6 26.3 1.0
CB A:THR94 3.8 30.4 1.0
CA A:THR94 4.0 25.7 1.0
C A:HIS92 4.0 26.3 1.0
CB A:ILE95 4.0 20.3 1.0
N A:PRO93 4.1 29.1 1.0
CB A:HIS92 4.1 16.9 1.0
CA A:HIS92 4.1 20.0 1.0
C A:THR94 4.1 22.1 1.0
CD A:PRO93 4.2 27.6 1.0
CA A:ILE95 4.3 14.8 1.0
CG2 A:ILE95 4.4 20.1 1.0
O A:HOH488 4.5 28.0 0.5
O A:HIS92 4.5 31.2 1.0
CG2 A:THR94 4.6 32.6 1.0
C A:PRO93 4.7 30.2 1.0
ND1 A:HIS92 4.7 27.2 1.0
O A:HOH488 4.7 26.4 0.5
CG A:PRO93 4.8 29.8 1.0
CG A:HIS92 4.9 24.2 1.0
CA A:PRO93 5.0 28.4 1.0

Chlorine binding site 5 out of 12 in 7jqw

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Chlorine binding site 5 out of 12 in the The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with 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 5 of The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with 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:Cl418

b:40.3
occ:1.00
 O B:HOH573 3.2 37.3 1.0
N B:ASP330 3.4 12.2 1.0
CG B:ASP330 3.4 30.4 1.0
CB B:ASP330 3.5 23.1 1.0
OD2 B:ASP330 3.6 33.4 1.0
O B:GLY259 3.7 16.6 1.0
CB B:THR328 3.8 10.0 1.0
OG1 B:THR328 3.9 12.4 1.0
OD1 B:ASP330 3.9 28.5 1.0
N B:ASP329 3.9 13.4 1.0
CB B:ASP329 4.1 15.2 1.0
CA B:ASP330 4.1 17.4 1.0
C B:ASP329 4.3 14.7 1.0
CA B:ASP329 4.3 11.5 1.0
CA B:HIS260 4.4 11.1 1.0
C B:HIS260 4.6 19.0 1.0
C B:THR328 4.6 13.5 1.0
O B:HIS260 4.6 25.4 1.0
CG2 B:THR328 4.6 10.7 1.0
C B:GLY259 4.7 13.3 1.0
CA B:THR328 4.8 13.3 1.0
CD2 B:HIS260 5.0 21.9 1.0

Chlorine binding site 6 out of 12 in 7jqw

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Chlorine binding site 6 out of 12 in the The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with 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 6 of The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with 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:Cl419

b:37.7
occ:1.00
 NE2 B:GLN312 3.3 5.8 1.0
CD2 B:TYR315 3.5 15.5 1.0
CE2 B:TYR315 3.5 16.1 1.0
CD2 B:LEU316 3.7 9.5 1.0
O B:HOH749 3.9 27.8 1.0
CG B:GLN312 4.0 8.9 1.0
CD B:GLN312 4.1 8.0 1.0
CG B:LEU316 4.4 9.9 1.0
CD2 B:PHE9 4.4 12.3 1.0
O B:HOH620 4.7 21.2 1.0
CD1 B:ILE245 4.8 15.3 1.0
CG B:TYR315 4.8 12.6 1.0
CZ B:TYR315 4.9 21.6 1.0
CE2 B:PHE9 5.0 11.8 1.0

Chlorine binding site 7 out of 12 in 7jqw

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Chlorine binding site 7 out of 12 in the The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with 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 7 of The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with 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:Cl420

b:43.1
occ:1.00
 CA B:ARG321 3.7 10.6 1.0
CB B:ARG321 3.8 9.3 1.0
CD B:ARG321 3.9 14.0 1.0
N B:ARG321 3.9 9.1 1.0
O B:ILE319 4.1 12.8 1.0
C B:GLY320 4.2 9.6 1.0
O B:GLY320 4.3 11.2 1.0
O B:HOH744 4.5 13.4 0.7
CG B:ARG321 4.5 8.9 1.0
O B:HOH744 4.8 11.3 0.3
CG1 B:ILE319 5.0 12.6 1.0
C B:ILE319 5.0 13.5 1.0

Chlorine binding site 8 out of 12 in 7jqw

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Chlorine binding site 8 out of 12 in the The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with 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 8 of The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with 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:Cl421

b:65.5
occ:1.00
 N B:PRO39 3.9 22.0 1.0
O B:GLN36 3.9 24.2 1.0
CG B:PRO39 3.9 23.1 1.0
CD B:PRO39 4.0 22.8 1.0
C B:LYS37 4.0 21.5 1.0
O B:HOH758 4.1 55.4 1.0
O B:LYS37 4.1 21.9 1.0
CA B:PRO39 4.1 18.0 1.0
C B:ASP38 4.2 17.2 1.0
N B:ASP38 4.2 18.7 1.0
CG B:GLN42 4.3 18.2 1.0
CA B:LYS37 4.4 18.0 1.0
CB B:PRO39 4.5 19.5 1.0
O B:ASP38 4.6 14.1 1.0
O B:HOH683 4.7 37.0 1.0
CA B:ASP38 4.7 15.5 1.0
C B:GLN36 4.8 20.7 1.0

Chlorine binding site 9 out of 12 in 7jqw

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Chlorine binding site 9 out of 12 in the The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with 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 9 of The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with 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:Cl422

b:48.0
occ:1.00
 CD2 B:PHE385 4.1 38.7 1.0
CD2 B:HIS388 4.3 29.7 1.0
CE2 B:PHE385 4.3 40.6 1.0
CG B:HIS388 4.3 29.6 1.0
CB B:HIS388 4.6 28.4 1.0
NE2 B:HIS388 4.7 30.4 1.0
ND1 B:HIS388 4.8 30.6 1.0
CE1 B:HIS388 4.9 29.9 1.0

Chlorine binding site 10 out of 12 in 7jqw

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Chlorine binding site 10 out of 12 in the The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with 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 10 of The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with 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:Cl423

b:30.2
occ:1.00
 N B:GLU11 3.4 17.3 1.0
CD1 B:TYR315 3.6 19.8 1.0
OG B:SER318 3.7 13.2 1.0
CE2 B:PHE12 3.7 15.1 1.0
O B:HOH512 3.8 35.1 1.0
CD2 B:PHE12 3.9 11.8 1.0
CA B:GLY10 4.0 16.8 1.0
CB B:SER318 4.0 10.6 1.0
CE1 B:TYR315 4.1 21.6 1.0
CB B:GLU11 4.1 22.7 1.0
O B:HOH740 4.1 41.1 1.0
CG B:GLU11 4.1 30.4 1.0
C B:GLY10 4.2 15.2 1.0
CA B:GLU11 4.3 17.5 1.0
O B:PHE9 4.5 10.9 1.0
CG B:TYR315 4.7 12.6 1.0
CA B:TYR315 4.7 10.4 1.0
CZ B:PHE12 4.7 12.0 1.0
CB B:TYR315 5.0 12.8 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 with 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: Mon Jul 29 23:15:54 2024

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