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: Sun Jul 13 22:51:36 2025

Last articles

Fe in 6M1W
Fe in 6LY5
Fe in 6M0A
Fe in 6LVV
Fe in 6LU1
Fe in 6LY4
Fe in 6LVC
Fe in 6LVB
Fe in 6LS3
Fe in 6LS8
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy