Atomistry » Fluorine » PDB 4dbu-4e28 » 4dpu
Atomistry »
  Fluorine »
    PDB 4dbu-4e28 »
      4dpu »

Fluorine in PDB 4dpu: Crystal Structure of Staphylococcus Epidermidis S192A Mevalonate Diphosphate Decarboxylase Complexed with Inhibitor 6-Fmvapp and Atpgs

Enzymatic activity of Crystal Structure of Staphylococcus Epidermidis S192A Mevalonate Diphosphate Decarboxylase Complexed with Inhibitor 6-Fmvapp and Atpgs

All present enzymatic activity of Crystal Structure of Staphylococcus Epidermidis S192A Mevalonate Diphosphate Decarboxylase Complexed with Inhibitor 6-Fmvapp and Atpgs:
4.1.1.33;

Protein crystallography data

The structure of Crystal Structure of Staphylococcus Epidermidis S192A Mevalonate Diphosphate Decarboxylase Complexed with Inhibitor 6-Fmvapp and Atpgs, PDB code: 4dpu was solved by M.L.Barta, W.J.Mcwhorter, B.V.Geisbrecht, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.82 / 1.90
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 82.732, 103.140, 156.749, 90.00, 90.00, 90.00
R / Rfree (%) 17.9 / 22.4

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Staphylococcus Epidermidis S192A Mevalonate Diphosphate Decarboxylase Complexed with Inhibitor 6-Fmvapp and Atpgs (pdb code 4dpu). 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 Staphylococcus Epidermidis S192A Mevalonate Diphosphate Decarboxylase Complexed with Inhibitor 6-Fmvapp and Atpgs, PDB code: 4dpu:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 4dpu

Go back to Fluorine Binding Sites List in 4dpu
Fluorine binding site 1 out of 2 in the Crystal Structure of Staphylococcus Epidermidis S192A Mevalonate Diphosphate Decarboxylase Complexed with Inhibitor 6-Fmvapp and Atpgs


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 Staphylococcus Epidermidis S192A Mevalonate Diphosphate Decarboxylase Complexed with Inhibitor 6-Fmvapp and Atpgs within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:29.1
occ:0.99
 FAI A:FM0401 0.0 29.1 1.0
CAJ A:FM0401 1.3 24.8 1.0
CAQ A:FM0401 2.4 24.4 1.0
CAL A:FM0401 2.8 23.0 1.0
OAE A:FM0401 2.9 23.5 1.0
N A:ALA284 3.1 19.0 1.0
CB A:ALA284 3.4 22.4 1.0
O A:HOH579 3.5 31.6 0.8
CZ3 A:TRP19 3.5 22.2 1.0
CB A:ASP283 3.6 22.4 1.0
C A:ASP283 3.6 25.2 1.0
CAM A:FM0401 3.7 23.9 1.0
CA A:ALA284 3.7 21.7 1.0
CA A:ASP283 3.8 25.3 1.0
CAK A:FM0401 3.9 26.2 1.0
CE3 A:TRP19 4.1 19.9 1.0
CB A:ALA192 4.1 23.0 1.0
OD1 A:ASP283 4.3 26.2 1.0
CG A:ASP283 4.4 26.6 1.0
CH2 A:TRP19 4.5 20.4 1.0
O A:ASP283 4.5 22.6 1.0
SD A:MET243 4.8 35.9 1.0
O A:HOH571 4.8 32.9 1.0
CE A:MET243 4.8 24.8 1.0
OAN A:FM0401 4.9 25.3 1.0
CAP A:FM0401 5.0 25.0 1.0

Fluorine binding site 2 out of 2 in 4dpu

Go back to Fluorine Binding Sites List in 4dpu
Fluorine binding site 2 out of 2 in the Crystal Structure of Staphylococcus Epidermidis S192A Mevalonate Diphosphate Decarboxylase Complexed with Inhibitor 6-Fmvapp and Atpgs


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 Staphylococcus Epidermidis S192A Mevalonate Diphosphate Decarboxylase Complexed with Inhibitor 6-Fmvapp and Atpgs within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:28.9
occ:1.00
 FAI B:FM0401 0.0 28.9 1.0
CAJ B:FM0401 1.3 25.1 1.0
CAQ B:FM0401 2.4 25.9 1.0
CAL B:FM0401 2.8 21.1 1.0
OAE B:FM0401 2.9 24.3 1.0
N B:ALA284 3.1 21.1 1.0
CZ3 B:TRP19 3.5 21.6 1.0
CB B:ALA284 3.5 26.0 1.0
O B:HOH566 3.5 33.1 1.0
C B:ASP283 3.5 24.2 1.0
CB B:ASP283 3.6 21.4 1.0
CAM B:FM0401 3.7 22.4 1.0
CA B:ASP283 3.7 19.9 1.0
CA B:ALA284 3.7 22.7 1.0
CAK B:FM0401 3.9 21.5 1.0
OD1 B:ASP283 4.0 24.7 1.0
CE3 B:TRP19 4.0 19.2 1.0
CB B:ALA192 4.2 21.8 1.0
CG B:ASP283 4.2 24.8 1.0
CH2 B:TRP19 4.3 18.0 1.0
O B:ASP283 4.4 22.5 1.0
CE B:MET243 4.6 23.3 1.0
SD B:MET243 4.7 31.8 1.0
O B:HOH691 4.8 27.1 0.9
OAN B:FM0401 4.8 23.4 1.0
CAP B:FM0401 5.0 23.2 1.0

Reference:

M.L.Barta, W.J.Mcwhorter, H.M.Miziorko, B.V.Geisbrecht. Structural Basis For Nucleotide Binding and Reaction Catalysis in Mevalonate Diphosphate Decarboxylase. Biochemistry V. 51 5611 2012.
ISSN: ISSN 0006-2960
PubMed: 22734632
DOI: 10.1021/BI300591X
Page generated: Mon Jul 14 21:15:14 2025

Last articles

Mg in 2HX1
Mg in 2HXF
Mg in 2HW5
Mg in 2HXD
Mg in 2HWG
Mg in 2HX0
Mg in 2HVW
Mg in 2HW8
Mg in 2HSJ
Mg in 2HW3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy