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Fluorine in PDB 2prh: The Structures of Apo- and Inhibitor Bound Human Dihydroorotate Dehydrogenase Reveal Conformational Flexibility Within the Inhibitor Binding Site

Enzymatic activity of The Structures of Apo- and Inhibitor Bound Human Dihydroorotate Dehydrogenase Reveal Conformational Flexibility Within the Inhibitor Binding Site

All present enzymatic activity of The Structures of Apo- and Inhibitor Bound Human Dihydroorotate Dehydrogenase Reveal Conformational Flexibility Within the Inhibitor Binding Site:
1.3.99.11;

Protein crystallography data

The structure of The Structures of Apo- and Inhibitor Bound Human Dihydroorotate Dehydrogenase Reveal Conformational Flexibility Within the Inhibitor Binding Site, PDB code: 2prh was solved by B.Walse, V.T.Dufe, S.Al-Karadaghi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.36 / 2.40
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 90.550, 90.550, 122.700, 90.00, 90.00, 120.00
R / Rfree (%) 17.2 / 21.7

Other elements in 2prh:

The structure of The Structures of Apo- and Inhibitor Bound Human Dihydroorotate Dehydrogenase Reveal Conformational Flexibility Within the Inhibitor Binding Site also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the The Structures of Apo- and Inhibitor Bound Human Dihydroorotate Dehydrogenase Reveal Conformational Flexibility Within the Inhibitor Binding Site (pdb code 2prh). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the The Structures of Apo- and Inhibitor Bound Human Dihydroorotate Dehydrogenase Reveal Conformational Flexibility Within the Inhibitor Binding Site, PDB code: 2prh:

Fluorine binding site 1 out of 1 in 2prh

Go back to Fluorine Binding Sites List in 2prh
Fluorine binding site 1 out of 1 in the The Structures of Apo- and Inhibitor Bound Human Dihydroorotate Dehydrogenase Reveal Conformational Flexibility Within the Inhibitor Binding Site


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of The Structures of Apo- and Inhibitor Bound Human Dihydroorotate Dehydrogenase Reveal Conformational Flexibility Within the Inhibitor Binding Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F400

b:25.6
occ:1.00
F1 A:238400 0.0 25.6 1.0
C19 A:238400 1.4 20.9 1.0
C22 A:238400 2.4 21.0 1.0
C17 A:238400 2.4 19.4 1.0
C16 A:238400 3.0 18.9 1.0
C12 A:238400 3.2 19.2 1.0
SD A:MET43 3.7 19.8 1.0
CE2 A:TYR38 3.7 22.0 1.0
C21 A:238400 3.7 20.2 1.0
CD2 A:LEU42 3.7 24.1 1.0
C8 A:DDQ630 3.7 60.4 1.0
C18 A:238400 3.8 19.8 1.0
CD A:PRO364 3.9 13.6 1.0
C9 A:DDQ630 4.0 59.8 1.0
C10 A:DDQ630 4.1 58.8 1.0
C13 A:238400 4.2 18.0 1.0
CD2 A:TYR38 4.2 21.1 1.0
C20 A:238400 4.2 20.2 1.0
C8 A:238400 4.3 18.5 1.0
CD2 A:LEU46 4.3 21.8 1.0
CG A:PRO364 4.4 13.3 1.0
CE A:MET43 4.5 16.3 1.0
C7 A:DDQ630 4.6 60.9 1.0
C6 A:DDQ630 4.7 61.6 1.0
CZ A:TYR38 4.7 23.5 1.0
OH A:TYR38 4.9 24.2 1.0
CD1 A:LEU42 4.9 25.0 1.0
CG A:LEU42 5.0 22.8 1.0

Reference:

B.Walse, V.T.Dufe, B.Svensson, I.Fritzson, L.Dahlberg, A.Khairoullina, U.Wellmar, S.Al-Karadaghi. The Structures of Human Dihydroorotate Dehydrogenase with and Without Inhibitor Reveal Conformational Flexibility in the Inhibitor and Substrate Binding Sites Biochemistry V. 47 8929 2008.
ISSN: ISSN 0006-2960
PubMed: 18672895
DOI: 10.1021/BI8003318
Page generated: Sun Dec 13 11:39:10 2020

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