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Fluorine in PDB 2qcf: Crystal Structure of the Orotidine-5'-Monophosphate Decarboxylase Domain (ASP312ASN Mutant) of Human Ump Synthase Bound to 5-Fluoro-Ump

Enzymatic activity of Crystal Structure of the Orotidine-5'-Monophosphate Decarboxylase Domain (ASP312ASN Mutant) of Human Ump Synthase Bound to 5-Fluoro-Ump

All present enzymatic activity of Crystal Structure of the Orotidine-5'-Monophosphate Decarboxylase Domain (ASP312ASN Mutant) of Human Ump Synthase Bound to 5-Fluoro-Ump:
4.1.1.23;

Protein crystallography data

The structure of Crystal Structure of the Orotidine-5'-Monophosphate Decarboxylase Domain (ASP312ASN Mutant) of Human Ump Synthase Bound to 5-Fluoro-Ump, PDB code: 2qcf was solved by J.Wittmann, M.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 22.14 / 1.22
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 76.815, 115.512, 61.370, 90.00, 90.00, 90.00
R / Rfree (%) 12.1 / 14.8

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of the Orotidine-5'-Monophosphate Decarboxylase Domain (ASP312ASN Mutant) of Human Ump Synthase Bound to 5-Fluoro-Ump (pdb code 2qcf). 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 Crystal Structure of the Orotidine-5'-Monophosphate Decarboxylase Domain (ASP312ASN Mutant) of Human Ump Synthase Bound to 5-Fluoro-Ump, PDB code: 2qcf:

Fluorine binding site 1 out of 1 in 2qcf

Go back to Fluorine Binding Sites List in 2qcf
Fluorine binding site 1 out of 1 in the Crystal Structure of the Orotidine-5'-Monophosphate Decarboxylase Domain (ASP312ASN Mutant) of Human Ump Synthase Bound to 5-Fluoro-Ump


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 the Orotidine-5'-Monophosphate Decarboxylase Domain (ASP312ASN Mutant) of Human Ump Synthase Bound to 5-Fluoro-Ump within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F501

b:12.1
occ:1.00
 F5 A:5FU501 0.0 12.1 1.0
C5 A:5FU501 1.4 9.8 1.0
C6 A:5FU501 2.4 9.4 1.0
C4 A:5FU501 2.4 9.1 1.0
O4 A:5FU501 2.8 10.5 1.0
CE A:LYS314 3.1 12.9 0.7
NZ A:LYS314 3.4 13.8 0.7
CG2 A:ILE401 3.4 6.9 0.3
N1 A:5FU501 3.6 7.9 1.0
N3 A:5FU501 3.6 8.3 1.0
CG2 A:ILE401 3.6 9.9 0.7
CE A:MET371 3.9 12.0 1.0
CE A:LYS314 4.0 13.2 0.3
C2 A:5FU501 4.1 8.1 1.0
CG2 A:ILE368 4.4 9.3 1.0
CB A:ILE401 4.4 7.7 0.3
CD1 A:ILE368 4.4 9.8 1.0
CB A:ILE401 4.4 7.9 0.7
CG1 A:ILE401 4.4 8.1 0.3
CD A:LYS314 4.4 12.6 0.7
CG A:PRO417 4.5 8.1 1.0
CG1 A:ILE368 4.5 8.5 1.0
CG A:MET371 4.6 8.8 1.0
CG1 A:ILE401 4.7 8.6 0.7
C1' A:5FU501 4.8 7.7 1.0
OD1 A:ASN312 4.8 9.2 1.0
CD1 A:ILE401 4.8 5.9 0.3
ND2 A:ASN341 4.8 8.5 1.0
CD A:LYS314 4.9 10.4 0.3
SD A:MET371 5.0 9.3 1.0
O A:HOH575 5.0 17.9 1.0

Reference:

J.G.Wittmann, D.Heinrich, K.Gasow, A.Frey, U.Diederichsen, M.G.Rudolph. Structures of the Human Orotidine-5'-Monophosphate Decarboxylase Support A Covalent Mechanism and Provide A Framework For Drug Design. Structure V. 16 82 2008.
ISSN: ISSN 0969-2126
PubMed: 18184586
DOI: 10.1016/J.STR.2007.10.020
Page generated: Wed Jul 31 15:47:21 2024

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