Atomistry » Fluorine » PDB 5tbm-5tto » 5tcj
Atomistry »
  Fluorine »
    PDB 5tbm-5tto »
      5tcj »

Fluorine 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:

Caesium (Cs) 9 atoms

Fluorine Binding Sites:

The binding sites of Fluorine 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 Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate and BRD4592-Bound Form, PDB code: 5tcj:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 5tcj

Go back to Fluorine Binding Sites List in 5tcj
Fluorine binding site 1 out of 4 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 Fluorine with other atoms in the F 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:F505

b:44.2
occ:1.00
 F21 B:79V505 0.0 44.2 1.0
C04 B:79V505 1.3 42.9 1.0
C03 B:79V505 2.4 43.1 1.0
C05 B:79V505 2.4 42.7 1.0
C07 B:79V505 2.9 42.8 1.0
C12 B:79V505 3.1 41.9 1.0
CD1 B:LEU34 3.4 33.8 1.0
CD2 B:PHE188 3.5 39.3 1.0
C06 B:79V505 3.7 42.3 1.0
C02 B:79V505 3.7 43.0 1.0
C08 B:79V505 4.0 42.7 1.0
CG B:PRO208 4.1 29.4 1.0
CE2 B:PHE188 4.1 40.2 1.0
C01 B:79V505 4.2 42.9 1.0
CD B:PRO208 4.2 29.0 1.0
C11 B:79V505 4.3 42.1 1.0
CE3 B:TRP191 4.3 31.6 1.0
CZ3 B:TRP191 4.3 31.4 1.0
CG1 B:VAL30 4.3 32.7 1.0
CG B:PHE188 4.5 39.2 1.0
CB B:PHE188 4.7 37.9 1.0
CE2 B:TYR200 4.8 33.4 1.0
CD1 B:ILE38 4.8 32.0 1.0
CD2 B:TYR200 4.9 33.1 1.0
CG B:LEU34 4.9 34.1 1.0
C09 B:79V505 4.9 43.2 1.0

Fluorine binding site 2 out of 4 in 5tcj

Go back to Fluorine Binding Sites List in 5tcj
Fluorine binding site 2 out of 4 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 Fluorine with other atoms in the F 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
H:F503

b:47.2
occ:1.00
 F21 H:79V503 0.0 47.2 1.0
C04 H:79V503 1.3 46.5 1.0
C03 H:79V503 2.4 46.5 1.0
C05 H:79V503 2.4 46.5 1.0
C07 H:79V503 2.9 47.4 1.0
C12 H:79V503 3.1 46.9 1.0
CD1 H:LEU34 3.4 34.5 1.0
CD1 H:PHE188 3.4 39.5 1.0
C06 H:79V503 3.7 45.9 1.0
C02 H:79V503 3.7 46.3 1.0
C08 H:79V503 4.0 47.3 1.0
CE1 H:PHE188 4.0 40.5 1.0
CG1 H:VAL30 4.0 32.8 1.0
CG H:PRO208 4.1 28.9 1.0
CD H:PRO208 4.2 28.4 1.0
C01 H:79V503 4.2 45.9 1.0
C11 H:79V503 4.3 47.0 1.0
CE3 H:TRP191 4.3 33.0 1.0
CZ3 H:TRP191 4.3 32.6 1.0
CG H:PHE188 4.5 39.1 1.0
CB H:PHE188 4.7 37.6 1.0
CD1 H:ILE38 4.8 33.5 1.0
CG H:LEU34 4.9 34.8 1.0
CE2 H:TYR200 4.9 37.2 1.0
C09 H:79V503 4.9 48.0 1.0
CD2 H:TYR200 4.9 36.7 1.0

Fluorine binding site 3 out of 4 in 5tcj

Go back to Fluorine Binding Sites List in 5tcj
Fluorine binding site 3 out of 4 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 Fluorine with other atoms in the F 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
F:F505

b:41.2
occ:1.00
 F21 F:79V505 0.0 41.2 1.0
C04 F:79V505 1.3 38.1 1.0
C03 F:79V505 2.4 37.7 1.0
C05 F:79V505 2.4 37.5 1.0
C07 F:79V505 2.9 36.6 1.0
C12 F:79V505 3.1 36.6 1.0
CD1 F:LEU34 3.3 36.0 1.0
CD1 F:PHE188 3.4 33.6 1.0
C02 F:79V505 3.7 37.3 1.0
C06 F:79V505 3.7 37.5 1.0
CE1 F:PHE188 4.0 34.7 1.0
C08 F:79V505 4.1 36.8 1.0
C01 F:79V505 4.2 37.6 1.0
CG F:PRO208 4.2 32.6 1.0
CZ3 F:TRP191 4.2 29.6 1.0
CE3 F:TRP191 4.2 29.7 1.0
CG1 F:VAL30 4.3 34.7 1.0
C11 F:79V505 4.3 37.2 1.0
CD F:PRO208 4.3 31.8 1.0
CG F:PHE188 4.5 33.4 1.0
CB F:PHE188 4.7 32.4 1.0
CE2 F:TYR200 4.8 32.9 1.0
CD1 F:ILE38 4.8 35.4 1.0
CG F:LEU34 4.8 36.5 1.0
CD2 F:TYR200 4.9 32.4 1.0

Fluorine binding site 4 out of 4 in 5tcj

Go back to Fluorine Binding Sites List in 5tcj
Fluorine binding site 4 out of 4 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 Fluorine with other atoms in the F 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
D:F504

b:34.6
occ:1.00
 F21 D:79V504 0.0 34.6 1.0
C04 D:79V504 1.3 31.7 1.0
C03 D:79V504 2.3 31.5 1.0
C05 D:79V504 2.4 31.6 1.0
C07 D:79V504 2.9 31.6 1.0
C12 D:79V504 3.1 31.7 1.0
CD1 D:LEU34 3.3 33.8 1.0
CD2 D:PHE188 3.5 29.9 1.0
C02 D:79V504 3.6 31.8 1.0
C06 D:79V504 3.6 31.6 1.0
C08 D:79V504 4.0 32.5 1.0
CE2 D:PHE188 4.0 30.6 1.0
CG D:PRO208 4.1 28.9 1.0
CD D:PRO208 4.1 28.5 1.0
CZ3 D:TRP191 4.1 28.9 1.0
C01 D:79V504 4.1 32.2 1.0
CE3 D:TRP191 4.2 28.9 1.0
CG1 D:VAL30 4.2 31.9 1.0
C11 D:79V504 4.3 32.4 1.0
CG D:PHE188 4.6 29.7 1.0
CB D:PHE188 4.8 29.4 1.0
CE2 D:TYR200 4.8 29.8 1.0
CD2 D:TYR200 4.8 29.6 1.0
CG D:LEU34 4.8 33.9 1.0
CD1 D:ILE38 4.9 31.2 1.0
C09 D:79V504 5.0 32.7 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: Thu Aug 1 15:10:06 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy