Atomistry » Caesium » PDB 4hul-6dwe » 5tcg
Atomistry »
  Caesium »
    PDB 4hul-6dwe »
      5tcg »

Caesium in PDB 5tcg: Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate-Bound Form

Enzymatic activity of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate-Bound Form

All present enzymatic activity of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate-Bound Form:
4.2.1.20;

Protein crystallography data

The structure of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate-Bound Form, PDB code: 5tcg was solved by K.Michalska, N.Maltseva, R.Jedrzejczak, A.Joachimiak, Center Forstructural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 135.183, 159.433, 165.230, 90.00, 90.00, 90.00
R / Rfree (%) 17.2 / 20.6

Caesium Binding Sites:

The binding sites of Caesium atom in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate-Bound Form (pdb code 5tcg). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 9 binding sites of Caesium where determined in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate-Bound Form, PDB code: 5tcg:
Jump to Caesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Caesium binding site 1 out of 9 in 5tcg

Go back to Caesium Binding Sites List in 5tcg
Caesium binding site 1 out of 9 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate-Bound Form


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 1 of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs502

b:54.5
occ:0.80
 OG1 B:THR284 3.0 22.5 1.0
O B:HOH644 3.0 43.8 1.0
O B:TYR320 3.0 25.4 1.0
O B:GLY322 3.1 23.5 1.0
O B:HOH690 3.2 20.5 1.0
O B:GLY246 3.3 23.5 1.0
O B:ALA282 3.3 23.0 1.0
O B:VAL245 3.9 23.5 1.0
CB B:THR284 3.9 22.9 1.0
C B:GLY246 4.1 22.8 1.0
C B:TYR320 4.2 25.4 1.0
C B:GLY322 4.2 23.5 1.0
O B:LEU318 4.3 23.0 1.0
CA B:GLY246 4.4 22.6 1.0
C B:ALA282 4.5 23.9 1.0
N B:THR284 4.5 23.2 1.0
N B:GLY322 4.7 25.2 1.0
CB B:ALA282 4.7 24.0 1.0
CB B:TYR320 4.7 24.2 1.0
C B:VAL245 4.8 22.8 1.0
CB B:VAL323 4.8 22.2 1.0
C B:PRO321 4.8 26.2 1.0
CA B:THR284 4.9 23.5 1.0
CD2 B:TYR320 4.9 24.2 1.0
CA B:TYR320 4.9 24.9 1.0
N B:TYR320 4.9 24.7 1.0
CG2 B:THR284 4.9 23.4 1.0

Caesium binding site 2 out of 9 in 5tcg

Go back to Caesium Binding Sites List in 5tcg
Caesium binding site 2 out of 9 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate-Bound Form


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 2 of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs503

b:36.1
occ:0.50
 O B:TRP403 3.1 27.6 1.0
O B:LYS402 3.4 30.3 1.0
C B:TRP403 3.8 27.3 1.0
CA B:TRP403 4.1 26.9 1.0
C B:LYS402 4.4 29.6 1.0
N B:GLY405 4.5 31.3 1.0
N B:TRP403 4.8 27.6 1.0
N B:PHE404 4.8 27.1 1.0

Caesium binding site 3 out of 9 in 5tcg

Go back to Caesium Binding Sites List in 5tcg
Caesium binding site 3 out of 9 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate-Bound Form


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 3 of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cs502

b:52.5
occ:0.80
 OG1 H:THR284 2.9 21.6 1.0
O H:TYR320 3.0 24.3 1.0
O H:HOH621 3.1 32.0 1.0
O H:GLY322 3.1 21.5 1.0
O H:ALA282 3.2 22.6 1.0
O H:HOH730 3.2 14.7 1.0
O H:GLY246 3.4 22.0 1.0
CB H:THR284 3.9 21.9 1.0
O H:VAL245 4.1 22.6 1.0
C H:TYR320 4.1 24.1 1.0
C H:GLY246 4.2 21.8 1.0
C H:GLY322 4.3 22.0 1.0
C H:ALA282 4.3 23.1 1.0
O H:LEU318 4.3 22.5 1.0
CA H:GLY246 4.4 21.6 1.0
N H:THR284 4.5 22.2 1.0
CB H:ALA282 4.6 22.9 1.0
N H:GLY322 4.7 23.6 1.0
C H:PRO321 4.8 24.7 1.0
CB H:TYR320 4.8 22.5 1.0
CA H:THR284 4.8 22.5 1.0
CB H:VAL323 4.8 21.0 1.0
C H:VAL245 4.9 21.9 1.0
CG2 H:THR284 4.9 22.2 1.0
CA H:TYR320 4.9 23.5 1.0
CD2 H:TYR320 4.9 22.3 1.0
CA H:PRO321 5.0 25.2 1.0
CB H:GLU270 5.0 21.8 1.0

Caesium binding site 4 out of 9 in 5tcg

Go back to Caesium Binding Sites List in 5tcg
Caesium binding site 4 out of 9 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate-Bound Form


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 4 of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cs502

b:58.3
occ:0.80
 O F:HOH627 2.9 41.2 1.0
OG1 F:THR284 3.0 24.7 1.0
O F:TYR320 3.0 26.9 1.0
O F:GLY322 3.0 23.8 1.0
O F:ALA282 3.2 25.7 1.0
O F:HOH676 3.2 27.8 1.0
O F:GLY246 3.3 23.8 1.0
CB F:THR284 3.9 25.1 1.0
O F:VAL245 4.0 23.0 1.0
C F:GLY246 4.1 22.7 1.0
C F:TYR320 4.1 26.9 1.0
C F:GLY322 4.2 24.0 1.0
C F:ALA282 4.3 26.4 1.0
O F:LEU318 4.4 25.9 1.0
N F:THR284 4.4 25.8 1.0
CA F:GLY246 4.5 22.4 1.0
N F:GLY322 4.7 25.6 1.0
CB F:ALA282 4.8 26.3 1.0
CB F:VAL323 4.8 23.1 1.0
C F:PRO321 4.8 26.8 1.0
CA F:THR284 4.8 26.1 1.0
CB F:TYR320 4.9 26.2 1.0
C F:VAL245 4.9 22.0 1.0
CD2 F:TYR320 4.9 26.5 1.0
CA F:TYR320 4.9 26.8 1.0
CG2 F:THR284 5.0 25.7 1.0

Caesium binding site 5 out of 9 in 5tcg

Go back to Caesium Binding Sites List in 5tcg
Caesium binding site 5 out of 9 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate-Bound Form


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 5 of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cs503

b:45.7
occ:0.80
 O F:LEU142 3.0 25.3 1.0
O F:HOH658 3.2 28.6 1.0
O H:HOH639 3.3 20.2 1.0
O F:HOH662 3.3 15.1 1.0
O F:HOH614 3.6 28.1 1.0
O F:CYS137 3.8 22.5 1.0
O F:GLY167 3.9 25.1 1.0
O1 F:FMT505 3.9 48.2 1.0
C F:LEU142 4.0 25.5 1.0
C F:CYS137 4.2 21.7 1.0
N F:ALA138 4.3 21.8 1.0
CA F:ALA138 4.3 22.7 1.0
C F:GLY167 4.5 24.5 1.0
CA F:ASP143 4.6 26.2 1.0
O F:LEU166 4.6 23.2 1.0
N F:ASP143 4.6 26.1 1.0
N F:LEU142 4.7 25.1 1.0
CB F:CYS137 4.7 21.0 1.0
N F:CYS144 4.8 24.7 1.0
CB F:CYS144 4.9 23.6 1.0
CA F:GLY167 4.9 24.6 1.0
C F:ASP143 4.9 25.2 1.0
CA F:LEU142 5.0 25.5 1.0
C F:FMT505 5.0 49.1 1.0

Caesium binding site 6 out of 9 in 5tcg

Go back to Caesium Binding Sites List in 5tcg
Caesium binding site 6 out of 9 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate-Bound Form


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 6 of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cs504

b:61.3
occ:0.50
 O H:GLY67 2.9 22.7 1.0
O F:GLY67 3.0 23.3 1.0
O H:HOH780 3.0 27.3 1.0
O F:HOH735 3.0 31.1 1.0
O F:PRO69 3.4 20.4 1.0
O H:PRO69 3.6 19.2 1.0
C F:GLY67 3.9 22.7 1.0
O F:HOH615 4.0 27.9 1.0
C H:GLY67 4.0 22.0 1.0
O F:HOH698 4.1 9.1 0.5
O H:HOH652 4.2 27.5 1.0
O H:HOH691 4.3 31.6 1.0
O F:HOH657 4.4 7.2 0.5
CA F:GLY67 4.5 22.6 1.0
C F:PRO69 4.5 19.7 1.0
CA H:GLY67 4.6 22.4 1.0
O H:HOH753 4.6 24.4 1.0
C H:PRO69 4.7 18.8 1.0
O H:HOH742 4.7 37.1 1.0
C F:ARG68 4.7 22.2 1.0
N F:ARG68 4.8 22.7 1.0
OE1 B:GLN52 4.9 34.1 1.0
O F:ARG68 4.9 23.3 1.0
N F:PRO69 5.0 21.5 1.0
C H:ARG68 5.0 20.7 1.0

Caesium binding site 7 out of 9 in 5tcg

Go back to Caesium Binding Sites List in 5tcg
Caesium binding site 7 out of 9 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate-Bound Form


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 7 of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cs502

b:55.8
occ:0.80
 OG1 D:THR284 3.0 21.5 1.0
O D:TYR320 3.0 23.6 1.0
O D:HOH692 3.0 33.9 1.0
O D:GLY322 3.1 21.1 1.0
O D:GLY246 3.1 22.3 1.0
O D:HOH712 3.1 26.1 1.0
O D:ALA282 3.2 21.5 1.0
CB D:THR284 3.9 21.8 1.0
O D:VAL245 3.9 21.8 1.0
C D:GLY246 4.0 21.4 1.0
C D:TYR320 4.2 23.6 1.0
C D:GLY322 4.2 21.7 1.0
O D:LEU318 4.3 23.5 1.0
CA D:GLY246 4.3 21.1 1.0
C D:ALA282 4.4 22.4 1.0
N D:THR284 4.5 22.0 1.0
CB D:ALA282 4.7 22.1 1.0
N D:GLY322 4.7 22.8 1.0
CB D:VAL323 4.8 21.5 1.0
C D:VAL245 4.8 20.9 1.0
C D:PRO321 4.8 23.7 1.0
CB D:TYR320 4.8 22.7 1.0
CA D:THR284 4.8 22.4 1.0
CG2 D:THR284 4.9 22.3 1.0
CA D:TYR320 4.9 23.4 1.0
OE1 D:GLU270 5.0 24.3 1.0

Caesium binding site 8 out of 9 in 5tcg

Go back to Caesium Binding Sites List in 5tcg
Caesium binding site 8 out of 9 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate-Bound Form


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 8 of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cs503

b:47.2
occ:0.80
 O D:LEU142 3.0 23.1 1.0
O D:HOH659 3.3 24.0 1.0
O B:HOH662 3.3 16.6 1.0
O D:HOH703 3.4 16.2 1.0
O D:CYS137 3.8 23.2 1.0
C D:LEU142 4.0 23.7 1.0
O D:GLY167 4.1 24.5 1.0
C D:CYS137 4.2 22.4 1.0
CA D:ALA138 4.4 22.9 1.0
N D:ALA138 4.4 22.2 1.0
N D:LEU142 4.6 24.2 1.0
CB D:CYS137 4.6 21.8 1.0
C D:GLY167 4.6 24.0 1.0
CA D:ASP143 4.6 24.0 1.0
N D:ASP143 4.6 24.2 1.0
O D:LEU166 4.7 22.9 1.0
N D:CYS144 4.7 22.5 1.0
CA D:GLY167 4.9 24.3 1.0
CA D:LEU142 4.9 24.0 1.0
CB D:CYS144 5.0 21.2 1.0
C D:ASP143 5.0 23.0 1.0

Caesium binding site 9 out of 9 in 5tcg

Go back to Caesium Binding Sites List in 5tcg
Caesium binding site 9 out of 9 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate-Bound Form


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 9 of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cs504

b:65.8
occ:0.50
 O B:GLY67 2.9 23.5 1.0
O D:GLY67 2.9 22.8 1.0
O B:HOH756 3.0 30.2 1.0
O B:HOH758 3.1 32.7 1.0
O D:PRO69 3.3 20.8 1.0
O B:PRO69 3.6 22.1 1.0
C B:GLY67 4.0 23.1 1.0
C D:GLY67 4.0 22.7 1.0
O D:HOH636 4.1 34.9 1.0
O D:HOH667 4.3 34.1 1.0
C D:PRO69 4.4 20.0 1.0
O D:HOH713 4.4 23.8 1.0
O B:HOH663 4.4 32.4 1.0
NE2 H:GLN52 4.4 28.1 0.5
O B:HOH712 4.5 21.9 1.0
CA B:GLY67 4.5 23.4 1.0
CA D:GLY67 4.7 22.7 1.0
C B:PRO69 4.7 21.1 1.0
C D:ARG68 4.7 22.3 1.0
N D:PRO69 4.8 21.5 1.0
O D:ARG68 4.8 23.5 1.0
C B:ARG68 4.9 22.5 1.0
N D:ARG68 4.9 22.7 1.0
N B:ARG68 5.0 22.8 1.0
O B:ARG68 5.0 22.8 1.0
OE1 H:GLN52 5.0 27.5 0.5

Reference:

S.Wellington, P.P.Nag, K.Michalska, S.E.Johnston, R.P.Jedrzejczak, V.K.Kaushik, A.E.Clatworthy, N.Siddiqi, P.Mccarren, B.Bajrami, N.I.Maltseva, S.Combs, S.L.Fisher, A.Joachimiak, S.L.Schreiber, D.T.Hung. A Small-Molecule Allosteric Inhibitor of Mycobacterium Tuberculosis Tryptophan Synthase. Nat. Chem. Biol. V. 13 943 2017.
ISSN: ESSN 1552-4469
PubMed: 28671682
DOI: 10.1038/NCHEMBIO.2420
Page generated: Tue Jul 30 20:45:00 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy