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Caesium in PDB 4hn4: Tryptophan Synthase in Complex with Alpha Aminoacrylate E(A-A) Form and the F9 Inhibitor in the Alpha Site

Enzymatic activity of Tryptophan Synthase in Complex with Alpha Aminoacrylate E(A-A) Form and the F9 Inhibitor in the Alpha Site

All present enzymatic activity of Tryptophan Synthase in Complex with Alpha Aminoacrylate E(A-A) Form and the F9 Inhibitor in the Alpha Site:
4.2.1.20;

Protein crystallography data

The structure of Tryptophan Synthase in Complex with Alpha Aminoacrylate E(A-A) Form and the F9 Inhibitor in the Alpha Site, PDB code: 4hn4 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) 28.59 / 1.64
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 183.970, 59.720, 67.400, 90.00, 94.69, 90.00
R / Rfree (%) 14.8 / 20

Other elements in 4hn4:

The structure of Tryptophan Synthase in Complex with Alpha Aminoacrylate E(A-A) Form and the F9 Inhibitor in the Alpha Site also contains other interesting chemical elements:

Fluorine (F) 3 atoms

Caesium Binding Sites:

The binding sites of Caesium atom in the Tryptophan Synthase in Complex with Alpha Aminoacrylate E(A-A) Form and the F9 Inhibitor in the Alpha Site (pdb code 4hn4). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 3 binding sites of Caesium where determined in the Tryptophan Synthase in Complex with Alpha Aminoacrylate E(A-A) Form and the F9 Inhibitor in the Alpha Site, PDB code: 4hn4:
Jump to Caesium binding site number: 1; 2; 3;

Caesium binding site 1 out of 3 in 4hn4

Go back to Caesium Binding Sites List in 4hn4
Caesium binding site 1 out of 3 in the Tryptophan Synthase in Complex with Alpha Aminoacrylate E(A-A) Form and the F9 Inhibitor in the Alpha Site


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 1 of Tryptophan Synthase in Complex with Alpha Aminoacrylate E(A-A) Form and the F9 Inhibitor in the Alpha Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs408

b:25.7
occ:0.50
 O B:HOH901 2.0 38.3 1.0
O B:THR71 3.0 14.2 1.0
O B:THR69 3.2 16.9 1.0
O B:THR66 3.3 19.2 1.0
OG1 B:THR66 3.4 19.3 1.0
O B:HOH902 3.5 56.5 1.0
O B:HOH874 3.5 39.4 1.0
CB B:THR66 3.9 17.1 1.0
C B:THR66 4.0 17.6 1.0
C B:THR71 4.1 13.7 1.0
C B:THR69 4.2 16.4 1.0
OG1 B:THR69 4.3 14.8 1.0
O B:HOH857 4.5 41.6 1.0
N B:THR71 4.5 13.1 1.0
CA B:THR66 4.6 17.2 1.0
N B:THR69 4.7 18.4 1.0
N B:ALA67 4.7 17.5 1.0
O B:HOH710 4.8 18.1 1.0
C B:ARG70 4.9 13.7 1.0
CA B:ALA67 4.9 19.6 1.0
N B:THR72 4.9 13.6 1.0
CA B:THR69 4.9 15.8 1.0
CA B:THR71 4.9 11.4 1.0
CA B:ARG70 5.0 13.8 0.5
CA B:ARG70 5.0 13.9 0.5
N B:ARG70 5.0 13.9 1.0

Caesium binding site 2 out of 3 in 4hn4

Go back to Caesium Binding Sites List in 4hn4
Caesium binding site 2 out of 3 in the Tryptophan Synthase in Complex with Alpha Aminoacrylate E(A-A) Form and the F9 Inhibitor in the Alpha Site


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 2 of Tryptophan Synthase in Complex with Alpha Aminoacrylate E(A-A) Form and the F9 Inhibitor in the Alpha Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs409

b:16.9
occ:0.58
 CS B:CS409 0.0 16.9 0.6
CS B:CS409 1.9 17.1 0.4
O B:PHE306 2.9 16.3 1.0
O B:GLY268 3.1 11.9 1.0
O B:SER308 3.2 13.4 1.0
O B:GLY232 3.3 15.8 1.0
O B:LEU304 3.5 14.5 1.0
O B:VAL231 3.7 14.8 1.0
C B:GLY232 3.8 13.9 1.0
CA B:GLY232 3.8 13.4 1.0
C B:PHE306 4.0 16.8 1.0
C B:GLY268 4.1 12.3 1.0
CB B:PHE306 4.2 16.4 1.0
CD B:PRO270 4.2 13.8 1.0
CD B:PRO257 4.4 11.4 1.0
C B:SER308 4.4 12.7 1.0
N B:PHE306 4.4 14.4 1.0
CA B:PHE306 4.5 15.3 1.0
C B:LEU304 4.5 12.6 1.0
C B:VAL231 4.6 13.3 1.0
CG B:PRO270 4.6 14.1 1.0
CA B:GLY268 4.6 12.8 1.0
CG B:PRO257 4.6 11.9 1.0
CD2 B:PHE306 4.7 20.1 1.0
N B:GLY232 4.7 13.6 1.0
N B:SER308 4.8 13.0 1.0
OE2 B:GLU256 4.9 15.2 1.0
N B:GLY233 4.9 14.7 1.0
CG B:PHE306 4.9 17.2 1.0

Caesium binding site 3 out of 3 in 4hn4

Go back to Caesium Binding Sites List in 4hn4
Caesium binding site 3 out of 3 in the Tryptophan Synthase in Complex with Alpha Aminoacrylate E(A-A) Form and the F9 Inhibitor in the Alpha Site


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 3 of Tryptophan Synthase in Complex with Alpha Aminoacrylate E(A-A) Form and the F9 Inhibitor in the Alpha Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs409

b:17.1
occ:0.42
 CS B:CS409 0.0 17.1 0.4
CS B:CS409 1.9 16.9 0.6
O B:GLY232 3.0 15.8 1.0
O B:VAL231 3.2 14.8 1.0
O B:SER308 3.3 13.4 1.0
OE2 B:GLU256 3.3 15.2 1.0
O B:GLY268 3.3 11.9 1.0
CD B:PRO270 3.8 13.8 1.0
CB B:VAL309 4.0 12.9 1.0
C B:GLY232 4.0 13.9 1.0
CG2 B:VAL309 4.0 13.0 1.0
C B:VAL231 4.1 13.3 1.0
CG B:PRO270 4.1 14.1 1.0
CG1 B:VAL231 4.2 15.4 1.0
CD B:GLU256 4.2 14.9 1.0
CG B:GLU256 4.2 13.5 1.0
CA B:GLY232 4.3 13.4 1.0
C B:SER308 4.3 12.7 1.0
O B:PHE306 4.4 16.3 1.0
C B:GLY268 4.5 12.3 1.0
CA B:VAL309 4.6 12.1 1.0
CB B:GLU256 4.6 11.7 1.0
N B:GLY232 4.6 13.6 1.0
CD B:PRO257 4.6 11.4 1.0
CB B:VAL231 4.7 12.3 1.0
N B:PRO270 4.9 12.4 1.0
N B:VAL309 4.9 11.3 1.0
CA B:ALA269 5.0 12.0 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: Tue Jul 30 20:28:04 2024

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