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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

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