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Fluorine in PDB 3mo7: Crystal Structure of Human Orotidine 5'-Monophosphate Decarboxylase Covalently Modified By 2'-Fluoro-6-Iodo-Ump

Enzymatic activity of Crystal Structure of Human Orotidine 5'-Monophosphate Decarboxylase Covalently Modified By 2'-Fluoro-6-Iodo-Ump

All present enzymatic activity of Crystal Structure of Human Orotidine 5'-Monophosphate Decarboxylase Covalently Modified By 2'-Fluoro-6-Iodo-Ump:
4.1.1.23;

Protein crystallography data

The structure of Crystal Structure of Human Orotidine 5'-Monophosphate Decarboxylase Covalently Modified By 2'-Fluoro-6-Iodo-Ump, PDB code: 3mo7 was solved by Y.Liu, L.P.Kotra, E.F.Pai, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 23.61 / 1.35
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 78.499, 116.035, 62.103, 90.00, 90.00, 90.00
R / Rfree (%) 15.5 / 17.5

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Human Orotidine 5'-Monophosphate Decarboxylase Covalently Modified By 2'-Fluoro-6-Iodo-Ump (pdb code 3mo7). 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 Human Orotidine 5'-Monophosphate Decarboxylase Covalently Modified By 2'-Fluoro-6-Iodo-Ump, PDB code: 3mo7:

Fluorine binding site 1 out of 1 in 3mo7

Go back to Fluorine Binding Sites List in 3mo7
Fluorine binding site 1 out of 1 in the Crystal Structure of Human Orotidine 5'-Monophosphate Decarboxylase Covalently Modified By 2'-Fluoro-6-Iodo-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 Human Orotidine 5'-Monophosphate Decarboxylase Covalently Modified By 2'-Fluoro-6-Iodo-Ump within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F3000

b:8.7
occ:1.00
 F2' A:UFT3000 0.0 8.7 1.0
C2' A:UFT3000 1.4 7.6 1.0
C1' A:UFT3000 2.3 7.5 1.0
C3' A:UFT3000 2.3 9.2 1.0
O3' A:UFT3000 2.5 9.2 1.0
NE2 A:HIS94 3.0 7.6 1.0
N1 A:UFT3000 3.3 6.3 1.0
O4' A:UFT3000 3.4 7.4 1.0
C4' A:UFT3000 3.5 7.6 1.0
CE1 A:HIS94 3.5 7.4 1.0
OD2 A:ASP123 3.7 8.2 1.0
NZ A:LYS125 3.7 8.1 1.0
C6 A:UFT3000 4.0 6.8 1.0
CD2 A:HIS94 4.2 7.6 1.0
C2 A:UFT3000 4.3 7.6 1.0
O2 A:UFT3000 4.3 7.7 1.0
NZ A:LYS92 4.5 7.5 1.0
C5' A:UFT3000 4.6 9.3 1.0
ND1 A:HIS94 4.8 7.4 1.0
CG A:ASP123 4.9 8.6 1.0
CE A:LYS125 5.0 9.8 1.0
OD2 A:ASP70 5.0 11.7 1.0

Reference:

M.Lewis, M.E.Meza-Avina, L.Wei, I.E.Crandall, A.M.Bello, E.Poduch, Y.Liu, C.J.Paige, K.C.Kain, E.F.Pai, L.P.Kotra. Novel Interactions of Fluorinated Nucleotide Derivatives Targeting Orotidine 5'-Monophosphate Decarboxylase. J.Med.Chem. V. 54 2891 2011.
ISSN: ISSN 0022-2623
PubMed: 21417464
DOI: 10.1021/JM101642G
Page generated: Sun Dec 13 11:50:59 2020

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