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Magnesium in PDB 3bny: Crystal Structure of Aristolochene Synthase Complexed with 2-Fluorofarnesyl Diphosphate (2F-Fpp)

Enzymatic activity of Crystal Structure of Aristolochene Synthase Complexed with 2-Fluorofarnesyl Diphosphate (2F-Fpp)

All present enzymatic activity of Crystal Structure of Aristolochene Synthase Complexed with 2-Fluorofarnesyl Diphosphate (2F-Fpp):
4.2.3.9;

Protein crystallography data

The structure of Crystal Structure of Aristolochene Synthase Complexed with 2-Fluorofarnesyl Diphosphate (2F-Fpp), PDB code: 3bny was solved by E.Y.Shishova, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 22.33 / 1.89
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 61.654, 147.862, 83.954, 90.00, 97.84, 90.00
R / Rfree (%) 22.4 / 26.4

Other elements in 3bny:

The structure of Crystal Structure of Aristolochene Synthase Complexed with 2-Fluorofarnesyl Diphosphate (2F-Fpp) also contains other interesting chemical elements:

Fluorine (F) 4 atoms
Chlorine (Cl) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Aristolochene Synthase Complexed with 2-Fluorofarnesyl Diphosphate (2F-Fpp) (pdb code 3bny). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of Aristolochene Synthase Complexed with 2-Fluorofarnesyl Diphosphate (2F-Fpp), PDB code: 3bny:

Magnesium binding site 1 out of 1 in 3bny

Go back to Magnesium Binding Sites List in 3bny
Magnesium binding site 1 out of 1 in the Crystal Structure of Aristolochene Synthase Complexed with 2-Fluorofarnesyl Diphosphate (2F-Fpp)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Aristolochene Synthase Complexed with 2-Fluorofarnesyl Diphosphate (2F-Fpp) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg701

b:29.1
occ:1.00
O2A D:FPF403 1.9 27.4 1.0
OE2 D:GLU227 2.3 33.3 1.0
OD1 D:ASN219 2.3 21.7 1.0
OG D:SER223 2.3 20.0 1.0
O2B D:FPF403 2.3 29.5 1.0
O D:HOH1278 2.4 12.5 1.0
CD D:GLU227 3.1 35.2 1.0
CG D:ASN219 3.2 17.2 1.0
CB D:SER223 3.2 20.4 1.0
P1 D:FPF403 3.3 31.3 1.0
P2 D:FPF403 3.4 31.0 1.0
ND2 D:ASN219 3.5 20.7 1.0
OE1 D:GLU227 3.5 29.2 1.0
O1 D:FPF403 3.7 35.2 1.0
O1B D:FPF403 3.7 30.9 1.0
O3A D:FPF403 3.9 30.4 1.0
O D:HOH1352 4.1 30.8 1.0
O D:ASN219 4.1 16.7 1.0
CG D:GLU227 4.2 36.1 1.0
O1A D:FPF403 4.4 31.9 1.0
C D:ASN219 4.5 16.9 1.0
CB D:ASN219 4.6 14.8 1.0
CA D:SER223 4.6 21.4 1.0
OD1 D:ASP220 4.8 17.1 1.0
O3B D:FPF403 4.8 31.0 1.0
O D:HOH1284 4.8 26.9 1.0
N D:ASP220 4.8 16.6 1.0
O D:HOH1356 4.9 32.6 1.0
O D:SER223 4.9 22.7 1.0
CA D:ASP220 4.9 16.4 1.0
C D:SER223 5.0 22.7 1.0

Reference:

E.Y.Shishova, F.Yu, D.J.Miller, J.A.Faraldos, Y.Zhao, R.M.Coates, R.K.Allemann, D.E.Cane, D.W.Christianson. X-Ray Crystallographic Studies of Substrate Binding to Aristolochene Synthase Suggest A Metal Ion Binding Sequence For Catalysis J.Biol.Chem. V. 283 15431 2008.
ISSN: ISSN 0021-9258
PubMed: 18385128
DOI: 10.1074/JBC.M800659200
Page generated: Mon Dec 14 07:56:05 2020

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