Atomistry » Fluorine » PDB 3qrj-3rgf » 3qt8
Atomistry »
  Fluorine »
    PDB 3qrj-3rgf »
      3qt8 »

Fluorine in PDB 3qt8: Crystal Structure of Mutant S192A Staphylococcus Epidermidis Mevalonate Diphosphate Decarboxylase Complexed with Inhibitor 6- Fmvapp

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

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

Protein crystallography data

The structure of Crystal Structure of Mutant S192A Staphylococcus Epidermidis Mevalonate Diphosphate Decarboxylase Complexed with Inhibitor 6- Fmvapp, PDB code: 3qt8 was solved by M.L.Barta, A.D.Skaff, W.J.Mcwhorter, H.M.Miziorko, B.V.Geisbrecht, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.00 / 2.10
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 82.505, 101.367, 155.255, 90.00, 90.00, 90.00
R / Rfree (%) 19 / 24.1

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Mutant S192A Staphylococcus Epidermidis Mevalonate Diphosphate Decarboxylase Complexed with Inhibitor 6- Fmvapp (pdb code 3qt8). 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 Mutant S192A Staphylococcus Epidermidis Mevalonate Diphosphate Decarboxylase Complexed with Inhibitor 6- Fmvapp, PDB code: 3qt8:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 3qt8

Go back to Fluorine Binding Sites List in 3qt8
Fluorine binding site 1 out of 2 in the Crystal Structure of Mutant S192A Staphylococcus Epidermidis Mevalonate Diphosphate Decarboxylase Complexed with Inhibitor 6- Fmvapp


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 Mutant S192A Staphylococcus Epidermidis Mevalonate Diphosphate Decarboxylase Complexed with Inhibitor 6- Fmvapp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F328

b:32.3
occ:1.00
 FAI A:FM0328 0.0 32.3 1.0
CAJ A:FM0328 1.3 29.2 1.0
CAQ A:FM0328 2.4 23.6 1.0
OAE A:FM0328 2.8 27.5 1.0
CAL A:FM0328 3.0 22.9 1.0
N A:ALA284 3.1 27.2 1.0
CZ3 A:TRP19 3.4 25.1 1.0
CB A:ALA284 3.4 21.4 1.0
C A:ASP283 3.5 27.1 1.0
CA A:ALA284 3.7 26.8 1.0
O A:HOH368 3.7 30.0 1.0
CAM A:FM0328 3.7 20.3 1.0
CA A:ASP283 3.8 29.0 1.0
CB A:ASP283 3.8 23.9 1.0
CAK A:FM0328 4.0 27.8 1.0
CE3 A:TRP19 4.0 22.5 1.0
CB A:ALA192 4.3 24.6 1.0
CH2 A:TRP19 4.3 22.5 1.0
O A:ASP283 4.3 27.3 1.0
OD1 A:ASP283 4.3 21.8 1.0
CG A:ASP283 4.6 27.8 1.0
CE A:MET243 4.6 26.6 1.0
O A:HOH382 4.6 30.6 1.0
SD A:MET243 4.7 34.7 1.0
OAN A:FM0328 4.9 23.1 1.0
CAP A:FM0328 5.0 24.4 1.0

Fluorine binding site 2 out of 2 in 3qt8

Go back to Fluorine Binding Sites List in 3qt8
Fluorine binding site 2 out of 2 in the Crystal Structure of Mutant S192A Staphylococcus Epidermidis Mevalonate Diphosphate Decarboxylase Complexed with Inhibitor 6- Fmvapp


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 Mutant S192A Staphylococcus Epidermidis Mevalonate Diphosphate Decarboxylase Complexed with Inhibitor 6- Fmvapp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F328

b:33.0
occ:1.00
 FAI B:FM0328 0.0 33.0 1.0
CAJ B:FM0328 1.3 26.4 1.0
CAQ B:FM0328 2.4 28.2 1.0
CAL B:FM0328 2.7 30.5 1.0
OAE B:FM0328 2.9 26.9 1.0
N B:ALA284 3.1 27.7 1.0
CZ3 B:TRP19 3.4 23.6 1.0
CB B:ALA284 3.5 29.9 1.0
C B:ASP283 3.5 26.8 1.0
CAM B:FM0328 3.7 25.2 1.0
CB B:ASP283 3.7 25.6 1.0
CA B:ALA284 3.7 22.5 1.0
CA B:ASP283 3.8 28.2 1.0
CAK B:FM0328 3.9 32.7 1.0
CE3 B:TRP19 3.9 24.3 1.0
CB B:ALA192 4.2 30.8 1.0
OD1 B:ASP283 4.2 27.3 1.0
CH2 B:TRP19 4.3 23.9 1.0
O B:ASP283 4.3 26.9 1.0
CG B:ASP283 4.3 26.1 1.0
CE B:MET243 4.4 27.3 1.0
SD B:MET243 4.6 29.5 1.0
CAP B:FM0328 4.9 28.5 1.0
OAN B:FM0328 5.0 31.5 1.0

Reference:

M.L.Barta, D.A.Skaff, W.J.Mcwhorter, T.J.Herdendorf, H.M.Miziorko, B.V.Geisbrecht. Crystal Structures of Staphylococcus Epidermidis Mevalonate Diphosphate Decarboxylase Bound to Inhibitory Analogs Reveal New Insight Into Substrate Binding and Catalysis. J.Biol.Chem. V. 286 23900 2011.
ISSN: ISSN 0021-9258
PubMed: 21561869
DOI: 10.1074/JBC.M111.242016
Page generated: Wed Jul 31 22:08:53 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy