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Fluorine in PDB 3mw7: Crystal Structure of Human Orotidine 5'-Monophosphate Decarboxylase Complexed with 5-Fluoro-Ump(Produced From 5-Fluoro-6-Amino-Ump)

Enzymatic activity of Crystal Structure of Human Orotidine 5'-Monophosphate Decarboxylase Complexed with 5-Fluoro-Ump(Produced From 5-Fluoro-6-Amino-Ump)

All present enzymatic activity of Crystal Structure of Human Orotidine 5'-Monophosphate Decarboxylase Complexed with 5-Fluoro-Ump(Produced From 5-Fluoro-6-Amino-Ump):
4.1.1.23;

Protein crystallography data

The structure of Crystal Structure of Human Orotidine 5'-Monophosphate Decarboxylase Complexed with 5-Fluoro-Ump(Produced From 5-Fluoro-6-Amino-Ump), PDB code: 3mw7 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) 50.00 / 2.32
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 70.290, 61.742, 71.212, 90.00, 111.64, 90.00
R / Rfree (%) 20.5 / 26.5

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Human Orotidine 5'-Monophosphate Decarboxylase Complexed with 5-Fluoro-Ump(Produced From 5-Fluoro-6-Amino-Ump) (pdb code 3mw7). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Human Orotidine 5'-Monophosphate Decarboxylase Complexed with 5-Fluoro-Ump(Produced From 5-Fluoro-6-Amino-Ump), PDB code: 3mw7:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 3mw7

Go back to Fluorine Binding Sites List in 3mw7
Fluorine binding site 1 out of 2 in the Crystal Structure of Human Orotidine 5'-Monophosphate Decarboxylase Complexed with 5-Fluoro-Ump(Produced From 5-Fluoro-6-Amino-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 Complexed with 5-Fluoro-Ump(Produced From 5-Fluoro-6-Amino-Ump) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F292

b:37.6
occ:1.00
 F5 A:5FU292 0.0 37.6 1.0
C5 A:5FU292 1.3 36.3 1.0
C4 A:5FU292 2.4 34.7 1.0
C6 A:5FU292 2.4 36.4 1.0
O4 A:5FU292 2.7 36.7 1.0
NZ A:LYS125 3.0 42.6 1.0
CG2 A:ILE212 3.5 18.1 1.0
N1 A:5FU292 3.6 35.9 1.0
N3 A:5FU292 3.6 35.2 1.0
CE A:LYS125 3.8 37.9 1.0
CE A:MET182 3.9 29.3 1.0
C2 A:5FU292 4.1 35.7 1.0
CG A:PRO228 4.2 26.1 1.0
CG2 A:ILE179 4.5 27.5 1.0
OD1 B:ASP128 4.5 34.3 1.0
CD A:LYS125 4.6 35.1 1.0
CB A:ILE212 4.6 18.9 1.0
CG1 A:ILE179 4.7 25.8 1.0
O A:HOH304 4.8 29.4 1.0
C1' A:5FU292 4.8 35.5 1.0
CD1 A:ILE179 4.8 27.6 1.0
CG1 A:ILE212 4.9 20.4 1.0
CG A:MET182 4.9 29.8 1.0
SD A:MET182 4.9 29.6 1.0

Fluorine binding site 2 out of 2 in 3mw7

Go back to Fluorine Binding Sites List in 3mw7
Fluorine binding site 2 out of 2 in the Crystal Structure of Human Orotidine 5'-Monophosphate Decarboxylase Complexed with 5-Fluoro-Ump(Produced From 5-Fluoro-6-Amino-Ump)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Human Orotidine 5'-Monophosphate Decarboxylase Complexed with 5-Fluoro-Ump(Produced From 5-Fluoro-6-Amino-Ump) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F292

b:30.4
occ:1.00
 F5 B:5FU292 0.0 30.4 1.0
C5 B:5FU292 1.3 28.1 1.0
C6 B:5FU292 2.4 28.7 1.0
C4 B:5FU292 2.4 27.2 1.0
O4 B:5FU292 2.7 28.0 1.0
NZ B:LYS125 3.3 38.2 1.0
CG2 B:ILE212 3.5 18.5 1.0
N1 B:5FU292 3.6 28.4 1.0
N3 B:5FU292 3.6 28.4 1.0
CE B:LYS125 3.8 35.7 1.0
CE B:MET182 3.9 32.5 1.0
C2 B:5FU292 4.1 27.4 1.0
CG2 B:ILE179 4.2 19.8 1.0
CG B:PRO228 4.3 24.8 1.0
CB B:ILE212 4.5 21.2 1.0
CD1 B:ILE179 4.5 19.9 1.0
CG1 B:ILE179 4.6 22.7 1.0
CG B:MET182 4.6 33.5 1.0
C1' B:5FU292 4.7 28.2 1.0
CG1 B:ILE212 4.8 21.6 1.0
OD1 A:ASP128 4.8 34.0 1.0

Reference:

Y.Liu, L.P.Kotra, E.F.Pai. Crystal Structure of Human Orotidine 5'-Monophosphate Decarboxylase Complexed with 5-Fluoro-Ump(Produced From 5-Fluoro-6-Amino-Ump) To Be Published.
Page generated: Sun Dec 13 11:51:05 2020

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