Atomistry » Chlorine » PDB 6xqz-6xys » 6xsy
Atomistry »
  Chlorine »
    PDB 6xqz-6xys »
      6xsy »

Chlorine in PDB 6xsy: The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A with Inhibitor 2-({[4- (Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and (E)-N-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]Pyridin-4- Yl}Methylidene)-L-Serine (Kou) at the Beta-Site

Enzymatic activity of The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A with Inhibitor 2-({[4- (Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and (E)-N-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]Pyridin-4- Yl}Methylidene)-L-Serine (Kou) at the Beta-Site

All present enzymatic activity of The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A with Inhibitor 2-({[4- (Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and (E)-N-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]Pyridin-4- Yl}Methylidene)-L-Serine (Kou) at the Beta-Site:
4.2.1.20;

Protein crystallography data

The structure of The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A with Inhibitor 2-({[4- (Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and (E)-N-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]Pyridin-4- Yl}Methylidene)-L-Serine (Kou) at the Beta-Site, PDB code: 6xsy was solved by E.Hilario, L.J.Mueller, M.F.Dunn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.91 / 1.55
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 181.42, 58.69, 67.28, 90, 94.42, 90
R / Rfree (%) 13.8 / 17.9

Other elements in 6xsy:

The structure of The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A with Inhibitor 2-({[4- (Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and (E)-N-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]Pyridin-4- Yl}Methylidene)-L-Serine (Kou) at the Beta-Site also contains other interesting chemical elements:

Caesium (Cs) 4 atoms
Fluorine (F) 3 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 with Inhibitor 2-({[4- (Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and (E)-N-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]Pyridin-4- Yl}Methylidene)-L-Serine (Kou) at the Beta-Site (pdb code 6xsy). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A with Inhibitor 2-({[4- (Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and (E)-N-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]Pyridin-4- Yl}Methylidene)-L-Serine (Kou) at the Beta-Site, PDB code: 6xsy:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 6xsy

Go back to Chlorine Binding Sites List in 6xsy
Chlorine binding site 1 out of 9 in the The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A with Inhibitor 2-({[4- (Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and (E)-N-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]Pyridin-4- Yl}Methylidene)-L-Serine (Kou) at the Beta-Site


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 with Inhibitor 2-({[4- (Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and (E)-N-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]Pyridin-4- Yl}Methylidene)-L-Serine (Kou) at the Beta-Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl312

b:40.0
occ:1.00
 O A:HOH681 2.8 41.7 1.0
O A:HOH569 3.3 15.0 1.0
O A:HOH489 3.8 16.6 1.0
O A:HOH556 3.8 21.5 1.0
CD1 A:PHE114 3.9 9.4 1.0
O A:HOH533 4.0 19.1 1.0
O A:HOH553 4.1 26.8 1.0
O B:HOH542 4.1 15.9 1.0
CE2 A:PHE82 4.3 19.2 1.0
CE1 A:PHE114 4.3 9.9 1.0
O B:HOH840 4.4 23.8 1.0
O A:HOH628 4.6 27.2 1.0
CD2 A:PHE82 4.7 17.0 1.0
O A:LEU105 4.7 10.2 1.0
CG A:PHE114 5.0 9.4 1.0
CA A:PHE114 5.0 9.4 1.0

Chlorine binding site 2 out of 9 in 6xsy

Go back to Chlorine Binding Sites List in 6xsy
Chlorine binding site 2 out of 9 in the The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A with Inhibitor 2-({[4- (Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and (E)-N-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]Pyridin-4- Yl}Methylidene)-L-Serine (Kou) at the Beta-Site


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 with Inhibitor 2-({[4- (Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and (E)-N-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]Pyridin-4- Yl}Methylidene)-L-Serine (Kou) at the Beta-Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl313

b:84.6
occ:1.00
 O A:HOH677 3.0 33.0 1.0
O A:HOH479 3.3 19.4 1.0
O A:HOH417 3.5 26.0 1.0
O A:HOH702 3.7 19.6 1.0
CD A:GLU218 4.0 23.4 1.0
OE1 A:GLU218 4.1 26.4 1.0
CG A:GLU218 4.2 18.8 1.0
O A:HOH777 4.2 44.3 1.0
CB A:GLU218 4.3 15.4 1.0
O A:HOH679 4.4 17.6 1.0
OE2 A:GLU218 4.4 31.4 1.0
NH2 A:ARG225 4.5 17.3 1.0
O A:GLU218 4.5 12.5 1.0
O A:HOH621 4.7 40.9 1.0
CB A:ALA222 4.9 12.6 1.0
C A:GLU218 4.9 12.2 1.0

Chlorine binding site 3 out of 9 in 6xsy

Go back to Chlorine Binding Sites List in 6xsy
Chlorine binding site 3 out of 9 in the The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A with Inhibitor 2-({[4- (Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and (E)-N-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]Pyridin-4- Yl}Methylidene)-L-Serine (Kou) at the Beta-Site


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 with Inhibitor 2-({[4- (Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and (E)-N-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]Pyridin-4- Yl}Methylidene)-L-Serine (Kou) at the Beta-Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl314

b:22.8
occ:1.00
 O B:HOH794 2.4 5.3 0.6
O A:HOH636 2.8 63.4 1.0
O A:PHE107 3.0 12.3 1.0
O B:HOH824 3.3 31.9 1.0
O B:HOH794 3.5 9.0 0.4
O A:ASN108 3.6 15.5 1.0
CE2 A:PHE107 3.7 14.5 1.0
CZ A:PHE107 3.9 14.0 1.0
CD2 A:PHE107 4.0 12.8 1.0
N A:GLY110 4.0 13.0 1.0
C A:ASN108 4.1 14.2 1.0
C A:PHE107 4.1 11.2 1.0
CE1 A:PHE107 4.3 14.3 1.0
CG A:PHE107 4.4 11.4 1.0
CA A:GLY110 4.5 12.2 1.0
CD1 A:PHE107 4.5 13.3 1.0
O B:HOH1003 4.6 30.1 1.0
O A:HOH587 4.7 16.9 1.0
N A:ASN109 4.7 14.1 1.0
CA A:ASN108 4.7 12.1 1.0
C A:ASN109 4.8 14.3 1.0
N A:ASN108 4.9 11.8 1.0
CA A:ASN109 4.9 14.8 1.0

Chlorine binding site 4 out of 9 in 6xsy

Go back to Chlorine Binding Sites List in 6xsy
Chlorine binding site 4 out of 9 in the The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A with Inhibitor 2-({[4- (Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and (E)-N-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]Pyridin-4- Yl}Methylidene)-L-Serine (Kou) at the Beta-Site


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 with Inhibitor 2-({[4- (Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and (E)-N-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]Pyridin-4- Yl}Methylidene)-L-Serine (Kou) at the Beta-Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl315

b:10.4
occ:1.00
 O A:HOH659 2.3 30.1 1.0
O A:HOH431 2.3 32.9 1.0
O A:ARG267 3.1 29.4 1.0
OG A:SER221 3.1 10.7 0.4
O A:ALA265 3.2 14.8 1.0
O A:HOH554 3.4 51.1 1.0
OG A:SER221 3.7 12.3 0.2
O A:HOH637 3.8 43.1 1.0
CB A:SER221 3.9 9.7 0.3
CB A:SER221 4.0 11.8 0.2
CB A:SER221 4.0 10.4 0.4
C A:ALA265 4.1 13.2 1.0
C A:ARG267 4.2 29.4 1.0
CA A:SER221 4.5 10.1 0.3
CA A:SER221 4.5 11.3 0.2
CA A:SER221 4.5 10.6 0.4
N A:ARG267 4.6 19.6 1.0
C A:SER266 4.6 14.6 1.0
O A:SER266 4.9 17.9 1.0
CA A:ALA265 4.9 12.4 1.0
N A:SER266 4.9 12.4 1.0
O A:HOH461 5.0 35.1 1.0

Chlorine binding site 5 out of 9 in 6xsy

Go back to Chlorine Binding Sites List in 6xsy
Chlorine binding site 5 out of 9 in the The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A with Inhibitor 2-({[4- (Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and (E)-N-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]Pyridin-4- Yl}Methylidene)-L-Serine (Kou) at the Beta-Site


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 with Inhibitor 2-({[4- (Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and (E)-N-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]Pyridin-4- Yl}Methylidene)-L-Serine (Kou) at the Beta-Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl418

b:15.3
occ:1.00
 O B:SER249 3.0 15.4 1.0
O B:ASP225 3.1 11.9 1.0
O B:HOH618 3.3 23.5 1.0
N B:GLY251 4.0 9.5 1.0
C B:ASP225 4.0 9.7 1.0
C B:SER249 4.2 14.1 1.0
O B:HOH922 4.3 49.8 1.0
O B:HOH947 4.3 24.3 1.0
CA B:ASP225 4.4 10.3 1.0
O B:HOH678 4.5 33.6 1.0
CB B:ASP225 4.5 10.5 1.0
O B:HOH940 4.5 31.3 0.4
CA B:GLY251 4.6 9.3 1.0
O B:HOH950 4.7 24.1 1.0
C B:VAL250 4.8 9.6 1.0
CA B:VAL250 4.9 10.6 1.0
OD1 B:ASP225 4.9 14.6 1.0
N B:VAL250 4.9 12.7 1.0

Chlorine binding site 6 out of 9 in 6xsy

Go back to Chlorine Binding Sites List in 6xsy
Chlorine binding site 6 out of 9 in the The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A with Inhibitor 2-({[4- (Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and (E)-N-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]Pyridin-4- Yl}Methylidene)-L-Serine (Kou) at the Beta-Site


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 with Inhibitor 2-({[4- (Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and (E)-N-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]Pyridin-4- Yl}Methylidene)-L-Serine (Kou) at the Beta-Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl419

b:39.4
occ:1.00
 O B:HOH822 2.8 53.3 1.0
O B:HOH584 2.9 36.5 1.0
N B:GLU369 3.0 11.4 0.8
N B:GLU369 3.0 10.0 0.2
CB B:GLU369 3.5 15.0 0.8
CB B:GLU369 3.6 10.4 0.2
CA B:GLU369 3.8 12.2 0.8
CA B:GLU369 3.8 9.7 0.2
C B:LYS368 3.9 9.6 1.0
CA B:LYS368 3.9 10.0 1.0
O B:GLU367 4.1 12.1 1.0
O B:GLU369 4.3 12.3 0.8
O B:GLU369 4.3 9.8 0.2
C B:GLU369 4.5 11.3 0.8
CG B:LYS368 4.5 10.4 1.0
C B:GLU369 4.6 9.8 0.2
NH2 B:ARG70 4.8 35.9 1.0
CB B:LYS368 4.8 9.6 1.0
O B:HOH621 4.9 35.8 1.0
CG B:GLU369 4.9 21.5 0.8
N B:LYS368 4.9 9.2 1.0
C B:GLU367 5.0 10.5 1.0
OE1 B:GLU369 5.0 12.4 0.2
CZ B:ARG70 5.0 29.7 1.0

Chlorine binding site 7 out of 9 in 6xsy

Go back to Chlorine Binding Sites List in 6xsy
Chlorine binding site 7 out of 9 in the The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A with Inhibitor 2-({[4- (Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and (E)-N-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]Pyridin-4- Yl}Methylidene)-L-Serine (Kou) at the Beta-Site


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 with Inhibitor 2-({[4- (Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and (E)-N-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]Pyridin-4- Yl}Methylidene)-L-Serine (Kou) at the Beta-Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl420

b:37.4
occ:1.00
 OD2 B:ASP323 3.0 16.2 1.0
O B:HOH613 3.2 22.6 1.0
O B:HOH759 3.6 42.4 1.0
CG B:ASP323 3.9 12.2 1.0
O B:HOH667 4.1 13.9 1.0
O B:HOH755 4.1 27.8 1.0
OD1 B:ASP323 4.1 12.9 1.0
O B:HOH947 4.7 24.3 1.0
O B:HOH914 4.9 51.3 1.0
O B:GLY320 5.0 11.8 1.0

Chlorine binding site 8 out of 9 in 6xsy

Go back to Chlorine Binding Sites List in 6xsy
Chlorine binding site 8 out of 9 in the The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A with Inhibitor 2-({[4- (Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and (E)-N-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]Pyridin-4- Yl}Methylidene)-L-Serine (Kou) at the Beta-Site


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 with Inhibitor 2-({[4- (Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and (E)-N-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]Pyridin-4- Yl}Methylidene)-L-Serine (Kou) at the Beta-Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl421

b:51.7
occ:1.00
 O B:HOH598 3.0 55.8 1.0
C B:LEU5 3.4 17.4 1.0
O B:LEU4 3.5 20.6 1.0
N B:ASN6 3.5 17.4 1.0
O B:LEU5 3.7 17.0 1.0
C B:LEU4 3.8 17.0 1.0
O B:THR3 3.8 19.3 1.0
CA B:LEU5 3.8 17.1 1.0
N B:LEU5 3.9 16.2 1.0
CA B:ASN6 4.1 15.3 1.0
OG1 B:THR3 4.3 19.1 1.0
C B:THR3 4.5 15.5 1.0
CB B:ASN6 4.8 17.9 1.0
CA B:LEU4 4.8 15.1 1.0
O B:HOH793 4.8 37.2 1.0
N B:LEU4 5.0 15.9 1.0

Chlorine binding site 9 out of 9 in 6xsy

Go back to Chlorine Binding Sites List in 6xsy
Chlorine binding site 9 out of 9 in the The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A with Inhibitor 2-({[4- (Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and (E)-N-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]Pyridin-4- Yl}Methylidene)-L-Serine (Kou) at the Beta-Site


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 with Inhibitor 2-({[4- (Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and (E)-N-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]Pyridin-4- Yl}Methylidene)-L-Serine (Kou) at the Beta-Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl422

b:63.7
occ:1.00
 CG B:TYR8 3.6 10.5 1.0
CD1 B:TYR8 3.7 11.4 1.0
CD2 B:TYR8 3.7 11.7 1.0
CE1 B:TYR8 3.8 12.5 1.0
CE2 B:TYR8 3.9 13.0 1.0
CZ B:TYR8 3.9 13.0 1.0
OE2 B:GLU11 4.0 35.4 1.0
O B:HOH595 4.1 20.0 1.0
O B:GLY10 4.1 13.8 1.0
CB B:TYR8 4.3 10.0 1.0
O B:HOH671 4.3 29.8 1.0
O B:HOH696 4.4 57.0 1.0
CD B:GLU11 4.5 30.6 1.0
OE1 B:GLU11 4.5 37.4 1.0
OH B:TYR8 4.7 15.1 1.0
CA B:GLU11 4.9 13.0 1.0

Reference:

E.Hilario, M.F.Dunn, L.J.Mueller. The External Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A with Inhibitor 2-({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino) Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and (E)-N-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy) Methyl]Pyridin-4-Yl}Methylidene)-L-Serine (Kou) at the Beta-Site. To Be Published.
Page generated: Mon Jul 29 17:21:44 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy