Atomistry » Fluorine » PDB 6tvl-6ugr » 6u6c
Atomistry »
  Fluorine »
    PDB 6tvl-6ugr »
      6u6c »

Fluorine in PDB 6u6c: Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK2-Bound Form

Enzymatic activity of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK2-Bound Form

All present enzymatic activity of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK2-Bound Form:
4.2.1.20;

Protein crystallography data

The structure of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK2-Bound Form, PDB code: 6u6c was solved by C.Chang, K.Michalska, N.I.Maltseva, R.Jedrzejczak, P.Mccarren, P.P.Nag, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.88 / 2.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 135.106, 159.226, 164.973, 90.00, 90.00, 90.00
R / Rfree (%) 15.3 / 19.5

Other elements in 6u6c:

The structure of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK2-Bound Form also contains other interesting chemical elements:

Potassium (K) 8 atoms
Sodium (Na) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK2-Bound Form (pdb code 6u6c). 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 GSK2-Bound Form, PDB code: 6u6c:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 6u6c

Go back to Fluorine Binding Sites List in 6u6c
Fluorine binding site 1 out of 4 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK2-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 GSK2-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F501

b:39.0
occ:1.00
F23 B:PZV501 0.0 39.0 1.0
C22 B:PZV501 1.4 33.8 1.0
C17 B:PZV501 2.4 25.9 1.0
C21 B:PZV501 2.4 27.5 1.0
C15 B:PZV501 2.7 24.1 1.0
O16 B:PZV501 2.8 21.5 1.0
CZ3 B:TRP191 3.5 20.5 1.0
C20 B:PZV501 3.6 25.4 1.0
CE3 B:TRP191 3.6 17.8 1.0
C18 B:PZV501 3.6 14.4 1.0
N12 B:PZV501 3.8 23.7 1.0
CD1 B:PHE188 3.9 18.4 1.0
CD1 B:LEU34 4.1 22.8 1.0
CD B:PRO208 4.1 13.9 1.0
C19 B:PZV501 4.1 22.2 1.0
CG B:PRO208 4.1 13.3 1.0
CE1 B:PHE188 4.4 21.4 1.0
C13 B:PZV501 4.5 18.2 1.0
CD2 B:TYR200 4.5 38.5 1.0
CE2 B:TYR200 4.5 32.0 1.0
C09 B:PZV501 4.7 20.3 1.0
CH2 B:TRP191 4.9 21.3 1.0
CD2 B:TRP191 5.0 16.6 1.0

Fluorine binding site 2 out of 4 in 6u6c

Go back to Fluorine Binding Sites List in 6u6c
Fluorine binding site 2 out of 4 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK2-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 GSK2-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F501

b:27.0
occ:1.00
F23 D:PZV501 0.0 27.0 1.0
C22 D:PZV501 1.4 30.4 1.0
C17 D:PZV501 2.4 21.8 1.0
C21 D:PZV501 2.4 21.5 1.0
C15 D:PZV501 2.8 24.9 1.0
O16 D:PZV501 2.8 20.8 1.0
CZ3 D:TRP191 3.6 14.5 1.0
CE3 D:TRP191 3.6 14.1 1.0
C20 D:PZV501 3.6 31.1 1.0
C18 D:PZV501 3.7 23.1 1.0
CD1 D:PHE188 3.8 16.2 1.0
N12 D:PZV501 3.8 16.9 1.0
CD1 D:LEU34 3.9 30.0 1.0
CD D:PRO208 4.0 28.9 1.0
CG D:PRO208 4.0 18.6 1.0
C19 D:PZV501 4.1 30.4 1.0
CE1 D:PHE188 4.4 19.1 1.0
CD2 D:TYR200 4.4 30.6 1.0
CE2 D:TYR200 4.5 33.3 1.0
C13 D:PZV501 4.6 16.1 1.0
C09 D:PZV501 4.8 19.8 1.0
CH2 D:TRP191 4.9 16.7 1.0
CG D:PHE188 4.9 23.6 1.0
CD2 D:TRP191 5.0 12.4 1.0

Fluorine binding site 3 out of 4 in 6u6c

Go back to Fluorine Binding Sites List in 6u6c
Fluorine binding site 3 out of 4 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK2-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 GSK2-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
F:F802

b:29.7
occ:1.00
F23 F:PZV802 0.0 29.7 1.0
C22 F:PZV802 1.4 28.2 1.0
C21 F:PZV802 2.4 22.0 1.0
C17 F:PZV802 2.4 27.8 1.0
C15 F:PZV802 2.8 28.5 1.0
O16 F:PZV802 2.9 25.9 1.0
CZ3 F:TRP191 3.5 12.9 1.0
C20 F:PZV802 3.6 28.2 1.0
CE3 F:TRP191 3.6 17.5 1.0
C18 F:PZV802 3.6 23.0 1.0
CD1 F:LEU34 3.9 28.6 1.0
N12 F:PZV802 3.9 20.5 1.0
CD1 F:PHE188 4.0 27.2 1.0
CG F:PRO208 4.0 20.5 1.0
CD F:PRO208 4.1 21.1 1.0
C19 F:PZV802 4.1 33.1 1.0
CD2 F:TYR200 4.5 28.6 1.0
CE1 F:PHE188 4.5 27.1 1.0
CE2 F:TYR200 4.5 27.8 1.0
C13 F:PZV802 4.6 21.9 1.0
CH2 F:TRP191 4.9 14.4 1.0
C09 F:PZV802 4.9 30.2 1.0
CE2 F:PHE211 4.9 26.2 1.0
CD2 F:TRP191 5.0 17.6 1.0

Fluorine binding site 4 out of 4 in 6u6c

Go back to Fluorine Binding Sites List in 6u6c
Fluorine binding site 4 out of 4 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK2-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 GSK2-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
H:F502

b:31.1
occ:1.00
F23 H:PZV502 0.0 31.1 1.0
C22 H:PZV502 1.4 28.3 1.0
C17 H:PZV502 2.4 18.4 1.0
C21 H:PZV502 2.4 18.2 1.0
C15 H:PZV502 2.7 22.8 1.0
O16 H:PZV502 2.8 20.8 1.0
CZ3 H:TRP191 3.6 16.9 1.0
C20 H:PZV502 3.6 21.1 1.0
C18 H:PZV502 3.6 18.6 1.0
CE3 H:TRP191 3.6 19.9 1.0
N12 H:PZV502 3.8 22.0 1.0
CD1 H:PHE188 3.8 25.2 1.0
CD1 H:LEU34 4.0 24.0 1.0
C19 H:PZV502 4.1 30.7 1.0
CG H:PRO208 4.2 15.3 1.0
CD H:PRO208 4.2 14.6 1.0
CE1 H:PHE188 4.3 23.1 1.0
CD2 H:TYR200 4.4 24.7 1.0
CE2 H:TYR200 4.5 24.0 1.0
C13 H:PZV502 4.5 24.1 1.0
C09 H:PZV502 4.7 25.0 1.0
CH2 H:TRP191 4.9 19.7 1.0
CG1 H:VAL30 5.0 20.8 1.0
CG H:PHE188 5.0 26.0 1.0
CD2 H:TRP191 5.0 17.3 1.0

Reference:

K.Michalska, C.Chang, N.I.Maltseva, R.Jedrzejczak, G.T.Robertson, F.Gusovsky, P.Mccarren, S.L.Schreiber, P.P.Nag, A.Joachimiak. Allosteric Inhibitors of Mycobacterium Tuberculosis Tryptophan Synthase. Protein Sci. V. 29 779 2020.
ISSN: ESSN 1469-896X
PubMed: 31930594
DOI: 10.1002/PRO.3825
Page generated: Tue Jul 15 16:09:32 2025

Last articles

Fe in 8PWY
Fe in 8PXQ
Fe in 8PY5
Fe in 8PWS
Fe in 8PXP
Fe in 8PP4
Fe in 8PUR
Fe in 8PVD
Fe in 8PU0
Fe in 8PVC
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy