Atomistry » Caesium » PDB 2ov4-4ht3 » 4ht3
Atomistry »
  Caesium »
    PDB 2ov4-4ht3 »
      4ht3 »

Caesium in PDB 4ht3: The Crystal Structure of Salmonella Typhimurium Tryptophan Synthase at 1.30A Complexed with N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino- 1-Ethylphosphate (F9) Inhibitor in the Alpha Site, Internal Aldimine

Enzymatic activity of The Crystal Structure of Salmonella Typhimurium Tryptophan Synthase at 1.30A Complexed with N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino- 1-Ethylphosphate (F9) Inhibitor in the Alpha Site, Internal Aldimine

All present enzymatic activity of The Crystal Structure of Salmonella Typhimurium Tryptophan Synthase at 1.30A Complexed with N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino- 1-Ethylphosphate (F9) Inhibitor in the Alpha Site, Internal Aldimine:
4.2.1.20;

Protein crystallography data

The structure of The Crystal Structure of Salmonella Typhimurium Tryptophan Synthase at 1.30A Complexed with N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino- 1-Ethylphosphate (F9) Inhibitor in the Alpha Site, Internal Aldimine, PDB code: 4ht3 was solved by E.Hilario, D.Niks, M.F.Dunn, L.J.Mueller, L.Fan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 18.36 / 1.30
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 181.850, 59.140, 67.300, 90.00, 94.74, 90.00
R / Rfree (%) 13.1 / 16.9

Other elements in 4ht3:

The structure of The Crystal Structure of Salmonella Typhimurium Tryptophan Synthase at 1.30A Complexed with N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino- 1-Ethylphosphate (F9) Inhibitor in the Alpha Site, Internal Aldimine also contains other interesting chemical elements:

Fluorine (F) 3 atoms
Chlorine (Cl) 7 atoms

Caesium Binding Sites:

The binding sites of Caesium atom in the The Crystal Structure of Salmonella Typhimurium Tryptophan Synthase at 1.30A Complexed with N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino- 1-Ethylphosphate (F9) Inhibitor in the Alpha Site, Internal Aldimine (pdb code 4ht3). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 5 binding sites of Caesium where determined in the The Crystal Structure of Salmonella Typhimurium Tryptophan Synthase at 1.30A Complexed with N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino- 1-Ethylphosphate (F9) Inhibitor in the Alpha Site, Internal Aldimine, PDB code: 4ht3:
Jump to Caesium binding site number: 1; 2; 3; 4; 5;

Caesium binding site 1 out of 5 in 4ht3

Go back to Caesium Binding Sites List in 4ht3
Caesium binding site 1 out of 5 in the The Crystal Structure of Salmonella Typhimurium Tryptophan Synthase at 1.30A Complexed with N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino- 1-Ethylphosphate (F9) Inhibitor in the Alpha Site, Internal Aldimine


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 1 of The Crystal Structure of Salmonella Typhimurium Tryptophan Synthase at 1.30A Complexed with N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino- 1-Ethylphosphate (F9) Inhibitor in the Alpha Site, Internal Aldimine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs304

b:12.0
occ:0.48
 O A:ALA265 3.1 15.2 1.0
O A:ARG267 3.1 25.1 1.0
O A:HOH649 3.2 37.5 1.0
O A:HOH547 3.2 31.0 1.0
O A:HOH462 3.2 21.8 1.0
OG A:SER221 3.2 17.3 0.8
CB A:SER221 3.9 11.9 0.2
C A:ALA265 4.0 13.6 1.0
O A:HOH531 4.0 33.5 1.0
CB A:SER221 4.1 13.7 0.8
O A:HOH609 4.2 43.1 1.0
C A:ARG267 4.2 25.7 1.0
CA A:SER221 4.6 12.7 0.2
N A:ARG267 4.6 18.3 1.0
CA A:SER221 4.6 13.6 0.8
C A:SER266 4.7 14.8 1.0
CA A:ALA265 4.8 12.8 1.0
N A:SER266 4.9 12.5 1.0
CA A:SER266 5.0 13.5 1.0

Caesium binding site 2 out of 5 in 4ht3

Go back to Caesium Binding Sites List in 4ht3
Caesium binding site 2 out of 5 in the The Crystal Structure of Salmonella Typhimurium Tryptophan Synthase at 1.30A Complexed with N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino- 1-Ethylphosphate (F9) Inhibitor in the Alpha Site, Internal Aldimine


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 2 of The Crystal Structure of Salmonella Typhimurium Tryptophan Synthase at 1.30A Complexed with N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino- 1-Ethylphosphate (F9) Inhibitor in the Alpha Site, Internal Aldimine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs411

b:12.4
occ:0.48
 O B:HOH948 3.0 33.7 0.5
O B:THR71 3.0 10.3 1.0
O B:HOH822 3.1 35.9 1.0
O B:THR69 3.2 13.4 1.0
O B:HOH656 3.2 25.4 1.0
O B:THR66 3.2 11.5 1.0
OG1 B:THR66 3.3 12.9 1.0
O B:HOH880 3.4 37.9 1.0
O B:HOH948 3.6 28.3 0.5
CB B:THR66 3.8 11.0 1.0
C B:THR66 3.8 11.6 1.0
O B:HOH820 4.0 27.4 1.0
C B:THR71 4.1 9.3 1.0
C B:THR69 4.1 11.3 1.0
OG1 B:THR69 4.2 11.4 1.0
CA B:THR66 4.5 10.9 1.0
N B:ALA67 4.5 13.3 1.0
N B:THR71 4.6 8.6 1.0
N B:THR69 4.6 12.6 1.0
CA B:ALA67 4.7 14.5 1.0
O B:HOH519 4.8 11.9 1.0
CA B:THR69 4.9 11.6 1.0
N B:GLY68 4.9 16.7 1.0
C B:ARG70 5.0 9.6 1.0
CA B:THR71 5.0 8.2 1.0
N B:ARG70 5.0 10.0 1.0
N B:THR72 5.0 7.9 1.0
CG2 B:THR66 5.0 11.1 1.0
CA B:ARG70 5.0 10.1 1.0

Caesium binding site 3 out of 5 in 4ht3

Go back to Caesium Binding Sites List in 4ht3
Caesium binding site 3 out of 5 in the The Crystal Structure of Salmonella Typhimurium Tryptophan Synthase at 1.30A Complexed with N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino- 1-Ethylphosphate (F9) Inhibitor in the Alpha Site, Internal Aldimine


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 3 of The Crystal Structure of Salmonella Typhimurium Tryptophan Synthase at 1.30A Complexed with N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino- 1-Ethylphosphate (F9) Inhibitor in the Alpha Site, Internal Aldimine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs412

b:10.8
occ:0.23
 CS B:CS412 0.0 10.8 0.2
CS B:CS412 1.6 14.7 0.2
CS B:CS412 2.1 15.4 0.3
O B:GLY232 3.0 20.4 1.0
OE2 B:GLU256 3.2 11.1 1.0
O B:VAL231 3.3 10.6 1.0
O B:SER308 3.4 11.2 1.0
O B:GLY268 3.4 11.4 1.0
CD B:PRO270 3.6 11.4 1.0
CG B:PRO270 3.9 12.4 1.0
C B:GLY232 4.0 11.9 1.0
CG1 B:VAL231 4.1 11.0 1.0
C B:VAL231 4.1 8.9 1.0
CD B:GLU256 4.1 10.7 1.0
CG B:GLU256 4.2 10.3 1.0
CB B:VAL309 4.2 9.1 1.0
CA B:GLY232 4.3 11.6 1.0
O B:PHE306 4.3 15.5 0.5
CG2 B:VAL309 4.3 10.2 1.0
C B:SER308 4.4 8.9 1.0
O B:PHE306 4.5 12.6 0.5
C B:GLY268 4.6 10.1 1.0
N B:GLY232 4.6 9.0 1.0
CB B:GLU256 4.6 8.2 1.0
CD B:PRO257 4.7 9.1 1.0
CB B:VAL231 4.7 8.1 1.0
N B:PRO270 4.7 9.7 1.0
CA B:VAL309 4.7 8.4 1.0
CA B:ALA269 5.0 8.4 1.0
O B:LEU304 5.0 11.8 0.5

Caesium binding site 4 out of 5 in 4ht3

Go back to Caesium Binding Sites List in 4ht3
Caesium binding site 4 out of 5 in the The Crystal Structure of Salmonella Typhimurium Tryptophan Synthase at 1.30A Complexed with N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino- 1-Ethylphosphate (F9) Inhibitor in the Alpha Site, Internal Aldimine


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 4 of The Crystal Structure of Salmonella Typhimurium Tryptophan Synthase at 1.30A Complexed with N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino- 1-Ethylphosphate (F9) Inhibitor in the Alpha Site, Internal Aldimine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs412

b:14.7
occ:0.22
 CS B:CS412 0.0 14.7 0.2
CS B:CS412 0.8 15.4 0.3
CS B:CS412 1.6 10.8 0.2
O B:GLY232 2.8 20.4 1.0
O B:PHE306 2.9 15.5 0.5
O B:PHE306 3.0 12.6 0.5
O B:SER308 3.1 11.2 1.0
O B:GLY268 3.2 11.4 1.0
C B:GLY232 3.7 11.9 1.0
O B:LEU304 3.7 11.8 0.5
CD B:PRO270 3.8 11.4 1.0
O B:VAL231 3.8 10.6 1.0
C B:PHE306 3.9 16.9 0.5
CA B:GLY232 4.0 11.6 1.0
CG B:PRO270 4.1 12.4 1.0
C B:PHE306 4.2 11.2 0.5
OG B:SER297 4.2 16.3 0.5
C B:GLY268 4.3 10.1 1.0
CB B:PHE306 4.3 19.8 0.5
O B:LEU304 4.3 12.6 0.5
C B:SER308 4.4 8.9 1.0
N B:PHE306 4.4 16.3 0.5
CA B:PHE306 4.4 18.0 0.5
OE2 B:GLU256 4.5 11.1 1.0
CD2 B:PHE306 4.6 18.5 0.5
C B:VAL231 4.6 8.9 1.0
CD B:PRO257 4.7 9.1 1.0
N B:GLY232 4.7 9.0 1.0
N B:SER308 4.8 14.7 1.0
N B:GLY233 4.9 11.0 1.0
CA B:GLY268 4.9 11.2 1.0
C B:LEU304 4.9 12.2 0.5
CG B:PHE306 4.9 20.9 0.5
CB B:PHE306 4.9 11.8 0.5
CA B:PHE306 4.9 11.6 0.5
N B:PHE306 4.9 11.7 0.5
CG B:PRO257 5.0 9.6 1.0
N B:PRO307 5.0 20.5 0.5

Caesium binding site 5 out of 5 in 4ht3

Go back to Caesium Binding Sites List in 4ht3
Caesium binding site 5 out of 5 in the The Crystal Structure of Salmonella Typhimurium Tryptophan Synthase at 1.30A Complexed with N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino- 1-Ethylphosphate (F9) Inhibitor in the Alpha Site, Internal Aldimine


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 5 of The Crystal Structure of Salmonella Typhimurium Tryptophan Synthase at 1.30A Complexed with N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino- 1-Ethylphosphate (F9) Inhibitor in the Alpha Site, Internal Aldimine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs412

b:15.4
occ:0.26
 CS B:CS412 0.0 15.4 0.3
CS B:CS412 0.8 14.7 0.2
CS B:CS412 2.1 10.8 0.2
O B:LEU304 3.0 11.8 0.5
O B:PHE306 3.0 15.5 0.5
O B:GLY232 3.0 20.4 1.0
O B:GLY268 3.0 11.4 1.0
O B:PHE306 3.2 12.6 0.5
O B:LEU304 3.5 12.6 0.5
O B:VAL231 3.5 10.6 1.0
CA B:GLY232 3.7 11.6 1.0
C B:GLY232 3.7 11.9 1.0
O B:SER308 3.9 11.2 1.0
N B:PHE306 4.0 16.3 0.5
C B:PHE306 4.0 16.9 0.5
C B:GLY268 4.1 10.1 1.0
CD B:PRO257 4.1 9.1 1.0
OG B:SER297 4.1 16.3 0.5
C B:LEU304 4.1 12.2 0.5
CD B:PRO270 4.2 11.4 1.0
CB B:PHE306 4.2 19.8 0.5
CG B:PRO257 4.3 9.6 1.0
CA B:PHE306 4.3 18.0 0.5
C B:PHE306 4.3 11.2 0.5
C B:LEU304 4.3 12.2 0.5
C B:VAL231 4.4 8.9 1.0
CA B:GLY268 4.5 11.2 1.0
N B:GLY232 4.5 9.0 1.0
N B:PHE306 4.7 11.7 0.5
CG B:PRO270 4.7 12.4 1.0
CB B:SER297 4.8 13.6 0.5
CA B:LEU304 4.9 11.7 0.5
CA B:PHE306 4.9 11.6 0.5
CB B:LEU304 4.9 10.5 0.5
CA B:LEU304 5.0 11.1 0.5
CD2 B:PHE306 5.0 18.5 0.5
OE2 B:GLU256 5.0 11.1 1.0
N B:GLY233 5.0 11.0 1.0

Reference:

D.Niks, E.Hilario, A.Dierkers, H.Ngo, D.Borchardt, T.J.Neubauer, L.Fan, L.J.Mueller, M.F.Dunn. Allostery and Substrate Channeling in the Tryptophan Synthase Bienzyme Complex: Evidence For Two Subunit Conformations and Four Quaternary States. Biochemistry V. 52 6396 2013.
ISSN: ISSN 0006-2960
PubMed: 23952479
DOI: 10.1021/BI400795E
Page generated: Sun Dec 13 10:56:22 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy