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Fluorine in PDB 3mwa: Crystal Structure of Plasmodium Falciparum Orotidine 5'-Monophosphate Decarboxylase Covalently Modified By 2-Prime-Fluoro-6-Iodo-Ump

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

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

Protein crystallography data

The structure of Crystal Structure of Plasmodium Falciparum Orotidine 5'-Monophosphate Decarboxylase Covalently Modified By 2-Prime-Fluoro-6-Iodo-Ump, PDB code: 3mwa 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 / 1.75
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 80.473, 83.519, 89.614, 90.00, 90.00, 90.00
R / Rfree (%) 16.2 / 19.8

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Plasmodium Falciparum Orotidine 5'-Monophosphate Decarboxylase Covalently Modified By 2-Prime-Fluoro-6-Iodo-Ump (pdb code 3mwa). 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 Covalently Modified By 2-Prime-Fluoro-6-Iodo-Ump, PDB code: 3mwa:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 3mwa

Go back to Fluorine Binding Sites List in 3mwa
Fluorine binding site 1 out of 2 in the Crystal Structure of Plasmodium Falciparum Orotidine 5'-Monophosphate Decarboxylase Covalently Modified By 2-Prime-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 Plasmodium Falciparum Orotidine 5'-Monophosphate Decarboxylase Covalently Modified By 2-Prime-Fluoro-6-Iodo-Ump within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1000

b:11.1
occ:1.00
 F2' A:UFT1000 0.0 11.1 1.0
C2' A:UFT1000 1.4 13.0 1.0
C1' A:UFT1000 2.3 9.8 1.0
C3' A:UFT1000 2.4 9.7 1.0
O3' A:UFT1000 2.7 11.2 1.0
OG1 B:THR145 2.7 11.5 1.0
OD1 B:ASP141 2.8 13.7 1.0
ND2 A:ASN104 2.9 7.7 1.0
OD2 B:ASP141 3.2 15.4 1.0
CG B:ASP141 3.2 13.4 1.0
N1 A:UFT1000 3.3 9.2 1.0
O4' A:UFT1000 3.4 10.7 1.0
CB B:THR145 3.5 10.1 1.0
C4' A:UFT1000 3.6 10.6 1.0
CG2 B:THR145 3.6 10.4 1.0
NZ A:LYS138 3.7 11.3 1.0
CG A:ASN104 3.9 8.6 1.0
C6 A:UFT1000 4.0 12.1 1.0
O2 A:UFT1000 4.1 9.5 1.0
C2 A:UFT1000 4.1 11.5 1.0
CG1 B:ILE142 4.2 8.6 1.0
OD2 A:ASP136 4.4 12.1 1.0
CB B:ASP141 4.5 10.4 1.0
CB A:ASN104 4.5 8.4 1.0
CD1 B:ILE142 4.5 8.9 1.0
O B:HOH331 4.6 9.7 1.0
C5' A:UFT1000 4.6 14.5 1.0
OD1 A:ASN104 4.7 8.3 1.0
OD2 A:ASP23 4.7 10.1 1.0
N B:ILE142 4.9 10.1 1.0
CA B:THR145 4.9 10.8 1.0
CE2 A:PHE107 5.0 10.6 1.0

Fluorine binding site 2 out of 2 in 3mwa

Go back to Fluorine Binding Sites List in 3mwa
Fluorine binding site 2 out of 2 in the Crystal Structure of Plasmodium Falciparum Orotidine 5'-Monophosphate Decarboxylase Covalently Modified By 2-Prime-Fluoro-6-Iodo-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 Covalently Modified By 2-Prime-Fluoro-6-Iodo-Ump within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1000

b:14.2
occ:1.00
 F2' B:UFT1000 0.0 14.2 1.0
C2' B:UFT1000 1.4 13.7 1.0
C1' B:UFT1000 2.3 11.8 1.0
C3' B:UFT1000 2.4 13.8 1.0
O3' B:UFT1000 2.7 11.4 1.0
OG1 A:THR145 2.7 11.6 1.0
OD1 A:ASP141 2.7 12.9 1.0
ND2 B:ASN104 2.9 10.7 1.0
OD2 A:ASP141 3.1 13.7 1.0
CG A:ASP141 3.2 13.2 1.0
N1 B:UFT1000 3.4 12.0 1.0
O4' B:UFT1000 3.5 11.2 1.0
CB A:THR145 3.5 10.9 1.0
CG2 A:THR145 3.6 9.8 1.0
C4' B:UFT1000 3.6 12.4 1.0
NZ B:LYS138 3.8 12.2 1.0
CG B:ASN104 3.9 11.1 1.0
C6 B:UFT1000 4.1 12.8 1.0
O2 B:UFT1000 4.2 12.1 1.0
C2 B:UFT1000 4.2 12.9 1.0
CG1 A:ILE142 4.3 11.6 1.0
O A:HOH394 4.5 11.8 1.0
CB A:ASP141 4.5 10.8 1.0
OD2 B:ASP136 4.5 13.1 1.0
CB B:ASN104 4.5 9.6 1.0
C5' B:UFT1000 4.5 11.1 1.0
OD1 B:ASN104 4.7 9.3 1.0
OD2 B:ASP23 4.7 12.8 1.0
CD1 A:ILE142 4.7 10.4 1.0
CE2 B:PHE107 4.8 10.6 1.0
CA A:THR145 4.9 10.9 1.0
N A:ILE142 5.0 11.2 1.0

Reference:

Y.Liu, L.P.Kotra, E.F.Pai. Crystal Structure of Plasmodium Falciparum Orotidine 5'-Monophosphate Decarboxylase Covalently Modified By 2-Prime-Fluoro-6-Iodo-Ump To Be Published.
Page generated: Mon Jul 14 17:57:44 2025

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