Atomistry » Fluorine » PDB 3fls-3g70 » 3g4f
Atomistry »
  Fluorine »
    PDB 3fls-3g70 »
      3g4f »

Fluorine in PDB 3g4f: Crystal Structure of (+)- -Cadinene Synthase From Gossypium Arboreum in Complex with 2-Fluorofarnesyl Diphosphate

Enzymatic activity of Crystal Structure of (+)- -Cadinene Synthase From Gossypium Arboreum in Complex with 2-Fluorofarnesyl Diphosphate

All present enzymatic activity of Crystal Structure of (+)- -Cadinene Synthase From Gossypium Arboreum in Complex with 2-Fluorofarnesyl Diphosphate:
4.2.3.13;

Protein crystallography data

The structure of Crystal Structure of (+)- -Cadinene Synthase From Gossypium Arboreum in Complex with 2-Fluorofarnesyl Diphosphate, PDB code: 3g4f was solved by H.A.Gennadios, L.Di Costanzo, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.70 / 2.65
Space group P 21 3
Cell size a, b, c (Å), α, β, γ (°) 158.195, 158.195, 158.195, 90.00, 90.00, 90.00
R / Rfree (%) 20.1 / 25.6

Other elements in 3g4f:

The structure of Crystal Structure of (+)- -Cadinene Synthase From Gossypium Arboreum in Complex with 2-Fluorofarnesyl Diphosphate also contains other interesting chemical elements:

Magnesium (Mg) 6 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of (+)- -Cadinene Synthase From Gossypium Arboreum in Complex with 2-Fluorofarnesyl Diphosphate (pdb code 3g4f). 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 (+)- -Cadinene Synthase From Gossypium Arboreum in Complex with 2-Fluorofarnesyl Diphosphate, PDB code: 3g4f:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 3g4f

Go back to Fluorine Binding Sites List in 3g4f
Fluorine binding site 1 out of 2 in the Crystal Structure of (+)- -Cadinene Synthase From Gossypium Arboreum in Complex with 2-Fluorofarnesyl Diphosphate


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 (+)- -Cadinene Synthase From Gossypium Arboreum in Complex with 2-Fluorofarnesyl Diphosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F801

b:80.4
occ:1.00
F A:FPF801 0.0 80.4 1.0
C2 A:FPF801 1.3 77.2 1.0
C3 A:FPF801 2.3 82.9 1.0
OE1 A:GLU455 2.5 90.2 1.0
C1 A:FPF801 2.5 79.3 0.2
MG A:MG606 2.7 69.0 1.0
CD A:GLU455 2.8 85.2 1.0
C5 A:FPF801 2.8 83.3 1.0
O1 A:FPF801 2.8 79.5 1.0
OD2 A:ASP451 2.8 74.2 1.0
CG A:GLU455 3.0 80.0 1.0
CG A:ASP451 3.6 76.3 1.0
OE2 A:GLU455 3.6 80.3 1.0
C4 A:FPF801 3.7 81.5 1.0
OD1 A:ASP451 3.7 80.9 1.0
C6 A:FPF801 3.8 78.7 1.0
O A:ASP451 4.3 75.5 1.0
P1 A:FPF801 4.3 87.2 1.0
CB A:GLU455 4.5 86.5 1.0
O3B A:FPF801 4.7 78.0 1.0
CE2 A:TYR527 4.8 80.8 1.0
O2A A:FPF801 4.8 73.4 1.0
O1A A:FPF801 4.9 73.0 1.0

Fluorine binding site 2 out of 2 in 3g4f

Go back to Fluorine Binding Sites List in 3g4f
Fluorine binding site 2 out of 2 in the Crystal Structure of (+)- -Cadinene Synthase From Gossypium Arboreum in Complex with 2-Fluorofarnesyl Diphosphate


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 (+)- -Cadinene Synthase From Gossypium Arboreum in Complex with 2-Fluorofarnesyl Diphosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F802

b:71.2
occ:1.00
F B:FPF802 0.0 71.2 1.0
C2 B:FPF802 1.4 78.0 1.0
OE1 B:GLU455 2.2 92.1 1.0
C3 B:FPF802 2.4 85.6 1.0
C1 B:FPF802 2.4 85.8 1.0
O1 B:FPF802 2.5 87.4 1.0
OD2 B:ASP451 2.7 75.8 1.0
OD1 B:ASP451 2.7 64.9 1.0
CD B:GLU455 2.8 83.9 1.0
MG B:MG603 2.9 66.8 1.0
C5 B:FPF802 2.9 88.3 1.0
CG B:GLU455 3.0 68.9 1.0
CG B:ASP451 3.0 65.3 1.0
C4 B:FPF802 3.7 94.3 1.0
P1 B:FPF802 3.8 99.3 1.0
OE2 B:GLU455 3.9 88.7 1.0
O1A B:FPF802 4.0 97.0 1.0
C6 B:FPF802 4.1 85.8 1.0
CB B:GLU455 4.4 66.2 1.0
CB B:ASP451 4.5 61.8 1.0
O2A B:FPF802 4.5 99.4 1.0
O B:ASP451 4.8 66.6 1.0
O3A B:FPF802 4.8 93.2 1.0
O3B B:FPF802 4.8 96.5 1.0
O2B B:FPF802 4.8 79.2 1.0
CE2 B:TYR527 4.9 78.4 1.0
C B:ASP451 5.0 60.3 1.0

Reference:

H.A.Gennadios, V.Gonzalez, L.Di Costanzo, A.Li, F.Yu, D.J.Miller, R.K.Allemann, D.W.Christianson. Crystal Structure of (+)-Delta-Cadinene Synthase From Gossypium Arboreum and Evolutionary Divergence of Metal Binding Motifs For Catalysis. Biochemistry V. 48 6175 2009.
ISSN: ISSN 0006-2960
PubMed: 19489610
DOI: 10.1021/BI900483B
Page generated: Sun Dec 13 11:46:34 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy