Fluorine in PDB 1d3h: 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;

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

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 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 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 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

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