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Fluorine in PDB 3n34: Crystal Structure of Plasmodium Falciparum Orotidine 5'-Monophosphate Decarboxylase Complexed with 5-Fluoro-6-Amino-Ump, Produced From 5- Fluoro-6-Azido-Ump

Enzymatic activity of Crystal Structure of Plasmodium Falciparum Orotidine 5'-Monophosphate Decarboxylase Complexed with 5-Fluoro-6-Amino-Ump, Produced From 5- Fluoro-6-Azido-Ump

All present enzymatic activity of Crystal Structure of Plasmodium Falciparum Orotidine 5'-Monophosphate Decarboxylase Complexed with 5-Fluoro-6-Amino-Ump, Produced From 5- Fluoro-6-Azido-Ump:
4.1.1.23;

Protein crystallography data

The structure of Crystal Structure of Plasmodium Falciparum Orotidine 5'-Monophosphate Decarboxylase Complexed with 5-Fluoro-6-Amino-Ump, Produced From 5- Fluoro-6-Azido-Ump, PDB code: 3n34 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 / 1.55
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 80.339, 83.085, 89.857, 90.00, 90.00, 90.00
R / Rfree (%) 15.6 / 18.2

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Plasmodium Falciparum Orotidine 5'-Monophosphate Decarboxylase Complexed with 5-Fluoro-6-Amino-Ump, Produced From 5- Fluoro-6-Azido-Ump (pdb code 3n34). 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 Plasmodium Falciparum Orotidine 5'-Monophosphate Decarboxylase Complexed with 5-Fluoro-6-Amino-Ump, Produced From 5- Fluoro-6-Azido-Ump, PDB code: 3n34:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 3n34

Go back to Fluorine Binding Sites List in 3n34
Fluorine binding site 1 out of 2 in the Crystal Structure of Plasmodium Falciparum Orotidine 5'-Monophosphate Decarboxylase Complexed with 5-Fluoro-6-Amino-Ump, Produced From 5- Fluoro-6-Azido-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 Plasmodium Falciparum Orotidine 5'-Monophosphate Decarboxylase Complexed with 5-Fluoro-6-Amino-Ump, Produced From 5- Fluoro-6-Azido-Ump within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1000

b:12.7
occ:1.00
 F24 A:FNU1000 0.0 12.7 1.0
C5 A:FNU1000 1.4 10.1 1.0
C6 A:FNU1000 2.4 9.3 1.0
C4 A:FNU1000 2.4 10.1 1.0
N3 A:FNU1000 2.7 15.7 1.0
O4 A:FNU1000 2.8 10.9 1.0
CE A:LYS138 3.3 8.1 0.4
CG1 A:VAL240 3.4 8.9 1.0
CD2 A:LEU191 3.6 9.3 1.0
N1 A:FNU1000 3.6 7.7 1.0
N2 A:FNU1000 3.6 7.8 1.0
CG2 A:THR194 3.8 9.5 1.0
NZ A:LYS138 4.0 10.6 0.4
C2 A:FNU1000 4.1 9.1 1.0
CE B:MET168 4.2 17.8 1.0
CB A:VAL240 4.4 6.8 1.0
CB A:THR194 4.5 7.6 1.0
CD A:LYS138 4.5 7.2 0.4
CG A:PRO264 4.6 8.7 1.0
CG2 A:VAL240 4.7 7.2 1.0
CG A:LEU191 4.7 7.8 1.0
CD1 A:LEU191 4.8 9.5 1.0
C1' A:FNU1000 4.8 9.4 1.0
SD B:MET168 4.9 14.0 1.0

Fluorine binding site 2 out of 2 in 3n34

Go back to Fluorine Binding Sites List in 3n34
Fluorine binding site 2 out of 2 in the Crystal Structure of Plasmodium Falciparum Orotidine 5'-Monophosphate Decarboxylase Complexed with 5-Fluoro-6-Amino-Ump, Produced From 5- Fluoro-6-Azido-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 Plasmodium Falciparum Orotidine 5'-Monophosphate Decarboxylase Complexed with 5-Fluoro-6-Amino-Ump, Produced From 5- Fluoro-6-Azido-Ump within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1001

b:13.2
occ:1.00
 F24 B:FNU1001 0.0 13.2 1.0
C5 B:FNU1001 1.4 10.4 1.0
C6 B:FNU1001 2.3 9.3 1.0
C4 B:FNU1001 2.4 11.1 1.0
N3 B:FNU1001 2.7 13.5 1.0
O4 B:FNU1001 2.8 12.4 1.0
CE B:LYS138 3.4 9.8 0.5
CD2 B:LEU191 3.5 13.1 1.0
CG1 B:VAL240 3.5 9.0 1.0
N1 B:FNU1001 3.6 9.1 1.0
N2 B:FNU1001 3.6 9.0 1.0
CE A:MET168 3.8 17.4 1.0
CG2 B:THR194 3.9 10.9 1.0
C2 B:FNU1001 4.0 8.9 1.0
NZ B:LYS138 4.1 7.8 0.5
CB B:VAL240 4.4 8.3 1.0
CB B:THR194 4.5 9.7 1.0
CD B:LYS138 4.6 7.2 0.5
CG B:PRO264 4.6 8.5 1.0
CG B:LEU191 4.6 11.2 1.0
CD1 B:LEU191 4.7 11.9 1.0
C1' B:FNU1001 4.8 9.4 1.0
SD A:MET168 4.8 15.0 1.0
CG2 B:VAL240 4.8 8.8 1.0
CA B:THR194 5.0 9.7 1.0

Reference:

Y.Liu, L.P.Kotra, E.F.Pai. Crystal Structure of Plasmodium Falciparum Orotidine 5'-Monophosphate Decarboxylase Complexed with 5-Fluoro-6-Amino-Ump, Produced From 5-Fluoro-6-Azido-Ump To Be Published.
Page generated: Sun Dec 13 11:51:12 2020

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