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

Caesium in PDB 5tcj: Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate and BRD4592-Bound Form

Enzymatic activity of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate and BRD4592-Bound Form

All present enzymatic activity of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate and BRD4592-Bound Form:
4.2.1.20;

Protein crystallography data

The structure of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate and BRD4592-Bound Form, PDB code: 5tcj was solved by K.Michalska, N.Maltseva, R.Jedrzejczak, S.Wellington, P.P.Nag, S.L.Fisher, S.L.Schreiber, D.T.Hung, A.Joachimiak, Center For Structural Genomicsof 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 (°) 135.092, 159.875, 165.331, 90.00, 90.00, 90.00
R / Rfree (%) 18 / 21.1

Other elements in 5tcj:

The structure of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate and BRD4592-Bound Form also contains other interesting chemical elements:

Fluorine (F) 4 atoms

Caesium Binding Sites:

The binding sites of Caesium atom in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate and BRD4592-Bound Form (pdb code 5tcj). 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 and BRD4592-Bound Form, PDB code: 5tcj:
Jump to Caesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Caesium binding site 1 out of 9 in 5tcj

Go back to Caesium Binding Sites List in 5tcj
Caesium binding site 1 out of 9 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate and BRD4592-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 and BRD4592-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs502

b:48.5
occ:0.80
OG1 B:THR284 3.0 30.6 1.0
O B:HOH613 3.0 39.3 1.0
O B:GLY322 3.1 30.9 1.0
O B:TYR320 3.1 32.5 1.0
O B:HOH665 3.1 33.3 1.0
O B:ALA282 3.3 31.1 1.0
O B:GLY246 3.3 33.6 1.0
O B:VAL245 3.9 30.4 1.0
CB B:THR284 4.0 31.3 1.0
C B:GLY246 4.2 31.2 1.0
C B:TYR320 4.2 32.5 1.0
C B:GLY322 4.2 30.8 1.0
C B:ALA282 4.5 31.6 1.0
O B:LEU318 4.5 30.2 1.0
CA B:GLY246 4.5 30.6 1.0
N B:THR284 4.6 31.4 1.0
CB B:ALA282 4.7 31.4 1.0
C B:VAL245 4.7 30.0 1.0
N B:GLY322 4.7 32.9 1.0
CB B:TYR320 4.8 31.2 1.0
CD2 B:TYR320 4.8 30.8 1.0
CB B:VAL323 4.8 29.5 1.0
C B:PRO321 4.9 33.9 1.0
CA B:THR284 4.9 31.8 1.0
CB B:GLU270 5.0 33.0 1.0
CA B:TYR320 5.0 31.9 1.0
CG2 B:THR284 5.0 31.9 1.0

Caesium binding site 2 out of 9 in 5tcj

Go back to Caesium Binding Sites List in 5tcj
Caesium binding site 2 out of 9 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate and BRD4592-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 and BRD4592-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs503

b:58.9
occ:0.50
O B:HOH739 2.8 34.7 1.0
O B:HOH738 2.9 35.2 1.0
O B:GLY67 3.0 31.1 1.0
O D:GLY67 3.0 31.8 1.0
O B:PRO69 3.3 33.0 1.0
O D:PRO69 3.3 29.8 1.0
OE1 H:GLN52 3.8 38.3 0.5
C D:GLY67 4.0 31.1 1.0
C B:GLY67 4.1 31.4 1.0
O D:HOH655 4.2 48.6 1.0
O D:HOH639 4.4 39.0 1.0
C B:PRO69 4.4 31.1 1.0
O B:HOH641 4.5 38.5 1.0
C D:PRO69 4.5 28.8 1.0
O D:HOH692 4.6 41.5 1.0
CA D:GLY67 4.7 30.9 1.0
C D:ARG68 4.7 31.1 1.0
O D:ARG68 4.7 32.2 1.0
CA B:GLY67 4.7 31.9 1.0
C B:ARG68 4.8 31.6 1.0
N B:PRO69 4.8 31.6 1.0
N D:PRO69 4.8 30.5 1.0
CD H:GLN52 4.8 37.1 0.5
O B:ARG68 4.9 32.6 1.0
N D:ARG68 5.0 31.2 1.0

Caesium binding site 3 out of 9 in 5tcj

Go back to Caesium Binding Sites List in 5tcj
Caesium binding site 3 out of 9 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate and BRD4592-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 and BRD4592-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs504

b:42.4
occ:0.50
O B:TRP403 3.2 35.2 1.0
O B:LYS402 3.5 38.0 1.0
C B:TRP403 3.9 34.6 1.0
CA B:TRP403 4.3 34.3 1.0
C B:LYS402 4.5 37.4 1.0
N B:GLY405 4.6 37.4 1.0
N B:PHE404 4.9 33.9 1.0
N B:TRP403 4.9 35.1 1.0

Caesium binding site 4 out of 9 in 5tcj

Go back to Caesium Binding Sites List in 5tcj
Caesium binding site 4 out of 9 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate and BRD4592-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 and BRD4592-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cs502

b:46.2
occ:0.80
OG1 H:THR284 2.8 29.5 1.0
O H:TYR320 3.0 31.1 1.0
O H:HOH704 3.1 23.2 1.0
O H:GLY322 3.2 29.5 1.0
O H:GLY246 3.2 29.6 1.0
O H:ALA282 3.3 30.3 1.0
CB H:THR284 3.9 30.2 1.0
O H:VAL245 3.9 28.4 1.0
C H:GLY246 4.1 28.7 1.0
C H:TYR320 4.2 31.4 1.0
C H:GLY322 4.3 29.8 1.0
O H:LEU318 4.4 31.2 1.0
C H:ALA282 4.4 30.7 1.0
CA H:GLY246 4.5 28.3 1.0
N H:THR284 4.6 30.0 1.0
CB H:ALA282 4.6 30.2 1.0
CB H:TYR320 4.8 30.7 1.0
N H:GLY322 4.8 31.4 1.0
C H:VAL245 4.8 27.8 1.0
C H:PRO321 4.8 32.4 1.0
CD2 H:TYR320 4.8 31.2 1.0
OE1 H:GLU270 4.9 35.6 1.0
CB H:VAL323 4.9 28.6 1.0
CA H:THR284 4.9 30.4 1.0
CB H:GLU270 4.9 31.8 1.0
CG2 H:THR284 4.9 30.9 1.0
CA H:TYR320 4.9 31.2 1.0

Caesium binding site 5 out of 9 in 5tcj

Go back to Caesium Binding Sites List in 5tcj
Caesium binding site 5 out of 9 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate and BRD4592-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 and BRD4592-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cs502

b:51.3
occ:0.80
OG1 F:THR284 3.0 32.5 1.0
O F:HOH616 3.0 47.2 1.0
O F:TYR320 3.0 31.9 1.0
O F:GLY322 3.0 30.6 1.0
O F:GLY246 3.0 34.1 1.0
O F:ALA282 3.1 33.6 1.0
CB F:THR284 4.0 33.8 1.0
O F:VAL245 4.0 33.5 1.0
C F:GLY246 4.0 33.1 1.0
C F:TYR320 4.2 32.2 1.0
C F:GLY322 4.2 31.4 1.0
C F:ALA282 4.3 34.8 1.0
O F:LEU318 4.4 32.6 1.0
CA F:GLY246 4.5 33.0 1.0
N F:THR284 4.6 34.7 1.0
CB F:ALA282 4.6 33.9 1.0
N F:GLY322 4.7 32.6 1.0
C F:VAL245 4.8 32.7 1.0
C F:PRO321 4.8 33.4 1.0
CD2 F:TYR320 4.8 31.4 1.0
CB F:TYR320 4.9 31.4 1.0
CB F:VAL323 4.9 31.4 1.0
CA F:THR284 4.9 34.8 1.0
OE1 F:GLU270 4.9 36.0 1.0
CA F:TYR320 5.0 32.4 1.0
CG2 F:THR284 5.0 34.6 1.0

Caesium binding site 6 out of 9 in 5tcj

Go back to Caesium Binding Sites List in 5tcj
Caesium binding site 6 out of 9 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate and BRD4592-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 and BRD4592-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cs503

b:42.1
occ:0.80
O F:LEU142 3.0 31.6 1.0
O F:HOH698 3.3 39.7 1.0
O F:HOH664 3.3 36.0 1.0
O F:HOH668 3.3 27.9 1.0
O H:HOH647 3.4 25.6 1.0
O1 F:FMT506 3.7 46.7 1.0
O F:GLY167 3.9 30.6 1.0
O F:CYS137 3.9 30.4 1.0
C F:LEU142 4.0 31.7 1.0
C F:CYS137 4.2 29.3 1.0
N F:ALA138 4.2 28.7 1.0
CA F:ALA138 4.3 29.5 1.0
C F:GLY167 4.5 30.4 1.0
CB F:CYS137 4.6 29.4 1.0
O F:LEU166 4.6 29.5 1.0
N F:LEU142 4.6 31.2 1.0
CA F:ASP143 4.7 32.1 1.0
N F:ASP143 4.7 32.2 1.0
N F:CYS144 4.8 30.9 1.0
C F:FMT506 4.8 47.2 1.0
CB F:CYS144 4.9 30.6 1.0
CA F:GLY167 4.9 30.6 1.0
CB F:ALA138 5.0 29.2 1.0
CA F:LEU142 5.0 31.6 1.0
O F:HOH608 5.0 34.6 1.0

Caesium binding site 7 out of 9 in 5tcj

Go back to Caesium Binding Sites List in 5tcj
Caesium binding site 7 out of 9 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate and BRD4592-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 and BRD4592-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cs504

b:54.8
occ:0.50
O H:GLY67 2.9 31.9 1.0
O F:HOH715 3.0 43.2 1.0
O H:HOH736 3.0 47.8 1.0
O F:GLY67 3.0 33.4 1.0
O F:PRO69 3.4 30.8 1.0
O H:PRO69 3.5 27.9 1.0
C F:GLY67 4.0 32.6 1.0
C H:GLY67 4.0 31.2 1.0
O H:HOH673 4.2 43.5 1.0
O F:HOH654 4.2 37.0 1.0
O F:HOH649 4.3 12.8 0.5
O H:HOH671 4.4 41.7 1.0
O F:HOH658 4.4 21.1 0.5
C F:PRO69 4.6 29.5 1.0
C H:PRO69 4.6 27.6 1.0
CA F:GLY67 4.6 32.5 1.0
CA H:GLY67 4.7 31.0 1.0
OE1 B:GLN52 4.7 45.8 1.0
C H:ARG68 4.8 30.1 1.0
C F:ARG68 4.9 31.4 1.0
O F:ARG68 4.9 31.7 1.0
O H:ARG68 4.9 30.3 1.0
N H:PRO69 5.0 29.4 1.0

Caesium binding site 8 out of 9 in 5tcj

Go back to Caesium Binding Sites List in 5tcj
Caesium binding site 8 out of 9 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate and BRD4592-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 and BRD4592-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cs502

b:47.2
occ:0.80
O D:HOH685 3.0 33.9 1.0
OG1 D:THR284 3.0 30.0 1.0
O D:TYR320 3.0 31.3 1.0
O D:HOH648 3.1 41.3 1.0
O D:GLY322 3.1 29.6 1.0
O D:GLY246 3.1 30.0 1.0
O D:ALA282 3.2 29.3 1.0
O D:VAL245 3.9 29.5 1.0
CB D:THR284 4.0 31.0 1.0
C D:GLY246 4.1 29.8 1.0
C D:TYR320 4.2 30.7 1.0
C D:GLY322 4.3 30.3 1.0
O D:LEU318 4.3 31.2 1.0
C D:ALA282 4.4 30.0 1.0
CA D:GLY246 4.4 29.2 1.0
N D:THR284 4.6 30.9 1.0
CB D:ALA282 4.6 28.9 1.0
C D:VAL245 4.7 28.8 1.0
N D:GLY322 4.8 31.0 1.0
CB D:VAL323 4.8 29.6 1.0
C D:PRO321 4.9 31.4 1.0
CB D:TYR320 4.9 29.3 1.0
CB D:GLU270 4.9 31.4 1.0
CA D:THR284 4.9 31.6 1.0
CD2 D:TYR320 5.0 28.8 1.0
OE1 D:GLU270 5.0 34.9 1.0
CA D:TYR320 5.0 30.1 1.0

Caesium binding site 9 out of 9 in 5tcj

Go back to Caesium Binding Sites List in 5tcj
Caesium binding site 9 out of 9 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate and BRD4592-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 and BRD4592-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cs503

b:45.0
occ:0.80
O D:LEU142 3.0 31.2 1.0
O D:HOH656 3.2 31.7 1.0
O D:HOH667 3.3 24.4 1.0
O D:HOH678 3.3 28.6 1.0
O D:CYS137 3.7 30.5 1.0
C D:LEU142 4.0 31.5 1.0
C D:CYS137 4.1 29.8 1.0
O D:GLY167 4.2 30.3 1.0
N D:ALA138 4.3 29.6 1.0
CA D:ALA138 4.3 30.3 1.0
CB D:CYS137 4.5 29.8 1.0
N D:LEU142 4.6 31.7 1.0
C D:GLY167 4.7 29.6 1.0
CA D:ASP143 4.7 31.6 1.0
N D:ASP143 4.7 31.6 1.0
O D:LEU166 4.7 29.5 1.0
N D:CYS144 4.9 30.1 1.0
CA D:GLY167 4.9 30.3 1.0
CA D:CYS137 5.0 29.5 1.0
CA D:LEU142 5.0 31.7 1.0
CB D:CYS144 5.0 29.7 1.0
C D:GLY141 5.0 32.5 1.0

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 Dec 13 10:56:51 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