Atomistry » Fluorine » PDB 5sb4-5sjr » 5scx
Atomistry »
  Fluorine »
    PDB 5sb4-5sjr »
      5scx »

Fluorine in PDB 5scx: Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-1190 (Racemic Mixture)

Enzymatic activity of Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-1190 (Racemic Mixture)

All present enzymatic activity of Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-1190 (Racemic Mixture):
1.5.1.3;

Protein crystallography data

The structure of Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-1190 (Racemic Mixture), PDB code: 5scx was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.15 / 1.30
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 29.28, 67.28, 72.29, 90, 90, 90
R / Rfree (%) 13.6 / 17.5

Other elements in 5scx:

The structure of Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-1190 (Racemic Mixture) also contains other interesting chemical elements:

Sodium (Na) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-1190 (Racemic Mixture) (pdb code 5scx). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-1190 (Racemic Mixture), PDB code: 5scx:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 5scx

Go back to Fluorine Binding Sites List in 5scx
Fluorine binding site 1 out of 2 in the Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-1190 (Racemic Mixture)


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 Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-1190 (Racemic Mixture) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F202

b:24.3
occ:1.00
F25 A:HJI202 0.0 24.3 1.0
C24 A:HJI202 1.4 23.9 1.0
F26 A:HJI202 2.2 26.6 1.0
C23 A:HJI202 2.3 21.5 1.0
C27 A:HJI202 2.8 21.3 1.0
O29 A:HJI202 3.1 22.5 1.0
NH1 A:ARG32 3.4 25.8 1.0
O28 A:HJI202 3.5 20.2 1.0
C01 A:HJI202 3.5 12.7 1.0
C22 A:HJI202 3.7 20.8 1.0
CZ A:ARG32 3.8 25.0 1.0
CG A:GLN28 3.8 14.3 1.0
CB A:GLN28 3.8 12.0 1.0
CD2 A:PHE31 4.0 9.5 1.0
CA A:GLN28 4.0 10.3 1.0
NE A:ARG32 4.1 24.1 1.0
O A:GLN28 4.3 10.4 1.0
NH2 A:ARG32 4.5 22.9 1.0
CE2 A:PHE31 4.6 9.7 1.0
C A:GLN28 4.6 9.7 1.0
CD A:GLN28 4.6 15.8 1.0
NE2 A:GLN28 4.7 17.5 1.0
O A:HOH477 4.7 40.5 1.0
CG A:ARG32 4.7 14.4 1.0
C21 A:HJI202 4.8 19.9 1.0
C02 A:HJI202 4.8 10.5 1.0
CG A:PHE31 4.9 8.3 1.0
CB A:PHE31 5.0 8.7 1.0

Fluorine binding site 2 out of 2 in 5scx

Go back to Fluorine Binding Sites List in 5scx
Fluorine binding site 2 out of 2 in the Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-1190 (Racemic Mixture)


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 Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-1190 (Racemic Mixture) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F202

b:26.6
occ:1.00
F26 A:HJI202 0.0 26.6 1.0
C24 A:HJI202 1.4 23.9 1.0
F25 A:HJI202 2.2 24.3 1.0
C23 A:HJI202 2.4 21.5 1.0
C22 A:HJI202 2.9 20.8 1.0
CE2 A:PHE31 3.1 9.7 1.0
CD2 A:PHE31 3.2 9.5 1.0
C27 A:HJI202 3.8 21.3 1.0
O15 A:HJI202 3.8 16.1 1.0
C12 A:HJI202 4.0 10.9 1.0
C01 A:HJI202 4.1 12.7 1.0
CZ A:PHE31 4.1 9.3 1.0
C21 A:HJI202 4.2 19.9 1.0
O29 A:HJI202 4.2 22.5 1.0
CD1 A:LEU57 4.2 14.3 1.0
CG A:PHE31 4.3 8.3 1.0
C16 A:HJI202 4.5 18.6 1.0
O A:HOH477 4.5 40.5 1.0
C13 A:HJI202 4.6 12.0 1.0
O28 A:HJI202 4.6 20.2 1.0
CD2 A:LEU57 4.8 14.7 1.0
C14 A:HJI202 4.8 13.6 1.0
C02 A:HJI202 4.9 10.5 1.0

Reference:

S.J.Mayclin, D.G.Conrady, D.D.Lorimer. Crystal Structure of Dihydrofolate Reductase From Mycobacterium Tuberculosis Bound to Nadp and Sddc Inhibitor Sddc-1190 (Racemic Mixture) To Be Published.
Page generated: Tue Jul 15 07:08:22 2025

Last articles

F in 7HGN
F in 7HKT
F in 7HKV
F in 7HKS
F in 7HHJ
F in 7HGP
F in 7HH1
F in 7H6M
F in 7HG5
F in 7HG7
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy