Fluorine in PDB 3n2m: Crystal Structure of Plasmodium Falciparum Orotidine 5'-Monophosphate Decarboxylase Complexed with 5-Fluoro-6-Amino-Ump

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

The structure of Crystal Structure of Plasmodium Falciparum Orotidine 5'-Monophosphate Decarboxylase Complexed with 5-Fluoro-6-Amino-Ump, PDB code: 3n2m 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 / 1.80
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	80.640, 83.350, 89.843, 90.00, 90.00, 90.00
R / Rfree (%)	15.5 / 18.9

The binding sites of Fluorine atom in the Crystal Structure of Plasmodium Falciparum Orotidine 5'-Monophosphate Decarboxylase Complexed with 5-Fluoro-6-Amino-Ump (pdb code 3n2m). 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, PDB code: 3n2m:
Jump to Fluorine binding site number: 1; 2;

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


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:F324 b:17.9 occ:1.00 F24 A:FNU324 0.0 17.9 1.0 C5 A:FNU324 1.4 15.1 1.0 C6 A:FNU324 2.4 13.9 1.0 C4 A:FNU324 2.4 17.8 1.0 N3 A:FNU324 2.7 20.5 1.0 O4 A:FNU324 2.8 16.2 1.0 CE A:LYS138 3.1 8.5 0.5 CG1 A:VAL240 3.4 10.2 1.0 CD2 A:LEU191 3.5 9.5 1.0 NZ A:LYS138 3.6 10.3 0.5 N1 A:FNU324 3.6 14.7 1.0 N2 A:FNU324 3.6 15.7 1.0 CG2 A:THR194 3.8 7.7 1.0 C2 A:FNU324 4.1 16.5 1.0 CB A:THR194 4.3 7.9 1.0 CB A:VAL240 4.4 8.6 1.0 CE B:MET168 4.4 12.3 1.0 CG A:PRO264 4.4 14.0 1.0 CD A:LYS138 4.5 8.7 0.5 CG2 A:VAL240 4.7 8.7 1.0 CG A:LEU191 4.8 10.1 1.0 C1' A:FNU324 4.8 16.5 1.0 CA A:THR194 4.9 9.9 1.0 CD1 A:LEU191 5.0 11.3 1.0 SD B:MET168 5.0 14.8 1.0

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


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 within 5.0Å range: probe atom residue distance (Å) B Occ B:F324 b:17.7 occ:1.00 F24 B:FNU324 0.0 17.7 1.0 C5 B:FNU324 1.3 15.2 1.0 C6 B:FNU324 2.3 13.4 1.0 C4 B:FNU324 2.4 16.4 1.0 N3 B:FNU324 2.6 18.4 1.0 O4 B:FNU324 2.7 16.0 1.0 CE B:LYS138 3.4 8.9 0.5 CD2 B:LEU191 3.4 13.4 1.0 CG1 B:VAL240 3.5 11.0 1.0 N1 B:FNU324 3.6 16.0 1.0 N2 B:FNU324 3.6 13.6 1.0 CG2 B:THR194 3.8 12.0 1.0 C2 B:FNU324 4.0 14.4 1.0 CE A:MET168 4.1 20.8 1.0 NZ B:LYS138 4.1 9.7 0.5 CB B:VAL240 4.4 8.8 1.0 CB B:THR194 4.4 12.6 1.0 CD B:LYS138 4.6 6.0 0.5 CG B:PRO264 4.6 11.5 1.0 CG B:LEU191 4.7 9.7 1.0 CD1 B:LEU191 4.8 12.0 1.0 C1' B:FNU324 4.8 16.1 1.0 CG2 B:VAL240 4.8 9.4 1.0 CA B:THR194 4.9 12.7 1.0 SD A:MET168 4.9 16.4 1.0

Y.Liu, L.P.Kotra, E.F.Pai. Crystal Structure of Plasmodium Falciparum Orotidine 5'-Monophosphate Decarboxylase Complexed with 5-Fluoro-6-Amino-Ump To Be Published.