Atomistry » Fluorine » PDB 1bwf-1dvy » 1d3h
Atomistry »
  Fluorine »
    PDB 1bwf-1dvy »
      1d3h »

Fluorine in PDB 1d3h: Human Dihydroorotate Dehydrogenase Complexed with Antiproliferative Agent A771726

Enzymatic activity of Human Dihydroorotate Dehydrogenase Complexed with Antiproliferative Agent A771726

All present enzymatic activity of Human Dihydroorotate Dehydrogenase Complexed with Antiproliferative Agent A771726:
1.3.3.1;

Protein crystallography data

The structure of Human Dihydroorotate Dehydrogenase Complexed with Antiproliferative Agent A771726, PDB code: 1d3h was solved by S.Liu, E.A.Neidhardt, T.H.Grossman, T.Ocain, J.Clardy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 1.80
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 90.610, 90.610, 122.410, 90.00, 90.00, 120.00
R / Rfree (%) 16.2 / 18.5

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Human Dihydroorotate Dehydrogenase Complexed with Antiproliferative Agent A771726 (pdb code 1d3h). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Human Dihydroorotate Dehydrogenase Complexed with Antiproliferative Agent A771726, PDB code: 1d3h:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 1d3h

Go back to Fluorine Binding Sites List in 1d3h
Fluorine binding site 1 out of 3 in the Human Dihydroorotate Dehydrogenase Complexed with Antiproliferative Agent A771726


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human Dihydroorotate Dehydrogenase Complexed with Antiproliferative Agent A771726 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F397

b:27.8
occ:1.00
F12 A:A26397 0.0 27.8 1.0
C11 A:A26397 1.2 32.2 1.0
F14 A:A26397 2.0 26.9 1.0
F13 A:A26397 2.0 30.2 1.0
C3 A:A26397 2.2 15.0 1.0
C4 A:A26397 2.7 18.0 1.0
C2 A:A26397 3.4 14.1 1.0
CD A:PRO364 3.5 17.1 1.0
CG A:PRO364 3.6 20.2 1.0
C5 A:A26397 4.1 14.4 1.0
N A:PRO364 4.4 13.7 1.0
C1 A:A26397 4.6 13.7 1.0
CB A:ALA59 4.6 12.2 1.0
CA A:GLY363 4.7 15.2 1.0
C6 A:A26397 4.8 18.0 1.0
CB A:PRO364 4.9 21.6 1.0
C A:GLY363 5.0 13.8 1.0

Fluorine binding site 2 out of 3 in 1d3h

Go back to Fluorine Binding Sites List in 1d3h
Fluorine binding site 2 out of 3 in the Human Dihydroorotate Dehydrogenase Complexed with Antiproliferative Agent A771726


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Human Dihydroorotate Dehydrogenase Complexed with Antiproliferative Agent A771726 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F397

b:30.2
occ:1.00
F13 A:A26397 0.0 30.2 1.0
C11 A:A26397 1.3 32.2 1.0
F14 A:A26397 1.8 26.9 1.0
F12 A:A26397 2.0 27.8 1.0
C3 A:A26397 2.2 15.0 1.0
C2 A:A26397 2.6 14.1 1.0
C4 A:A26397 3.5 18.0 1.0
CG A:LEU359 3.9 36.0 1.0
SD A:MET111 4.0 25.4 1.0
C1 A:A26397 4.0 13.7 1.0
CE A:MET111 4.0 20.9 1.0
OG1 A:THR63 4.1 17.6 1.0
CD2 A:LEU359 4.2 27.1 1.0
CG A:PRO364 4.2 20.2 1.0
CD1 A:LEU359 4.4 21.6 1.0
CD A:PRO364 4.5 17.1 1.0
C5 A:A26397 4.6 14.4 1.0
CB A:ALA59 4.7 12.2 1.0
CZ A:PHE98 4.8 12.5 1.0
N A:PRO364 4.8 13.7 1.0
C6 A:A26397 4.8 18.0 1.0

Fluorine binding site 3 out of 3 in 1d3h

Go back to Fluorine Binding Sites List in 1d3h
Fluorine binding site 3 out of 3 in the Human Dihydroorotate Dehydrogenase Complexed with Antiproliferative Agent A771726


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Human Dihydroorotate Dehydrogenase Complexed with Antiproliferative Agent A771726 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F397

b:26.9
occ:1.00
F14 A:A26397 0.0 26.9 1.0
C11 A:A26397 1.1 32.2 1.0
F13 A:A26397 1.8 30.2 1.0
F12 A:A26397 2.0 27.8 1.0
C3 A:A26397 2.1 15.0 1.0
C2 A:A26397 2.9 14.1 1.0
C4 A:A26397 3.0 18.0 1.0
CG A:LEU359 3.3 36.0 1.0
CD A:PRO364 3.3 17.1 1.0
N A:PRO364 3.4 13.7 1.0
CD1 A:LEU359 3.6 21.6 1.0
CG A:PRO364 3.6 20.2 1.0
C A:GLY363 3.7 13.8 1.0
CA A:GLY363 3.7 15.2 1.0
O A:LEU359 3.8 16.9 1.0
CA A:PRO364 4.1 17.5 1.0
CB A:LEU359 4.2 15.2 1.0
C1 A:A26397 4.2 13.7 1.0
C5 A:A26397 4.2 14.4 1.0
CD2 A:LEU359 4.2 27.1 1.0
C A:LEU359 4.4 18.7 1.0
O A:GLY363 4.5 14.6 1.0
CB A:PRO364 4.5 21.6 1.0
CA A:LEU359 4.5 14.6 1.0
SD A:MET111 4.6 25.4 1.0
C6 A:A26397 4.7 18.0 1.0
N A:GLY363 4.8 15.1 1.0

Reference:

S.Liu, E.A.Neidhardt, T.H.Grossman, T.Ocain, J.Clardy. Structures of Human Dihydroorotate Dehydrogenase in Complex with Antiproliferative Agents. Structure Fold.Des. V. 8 25 2000.
ISSN: ISSN 0969-2126
PubMed: 10673429
DOI: 10.1016/S0969-2126(00)00077-0
Page generated: Wed Jul 31 11:03:19 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy