Chlorine 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 / R_free (%)*	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
Magnesium	(Mg)	1 atom

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Aristolochene Synthase Complexed with 2-Fluorofarnesyl Diphosphate (2F-Fpp), PDB code: 3bny:

Chlorine binding site 1 out of 1 in 3bny

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Chlorine Binding Sites List in 3bny

Chlorine 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 Chlorine with other atoms in the Cl 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
B:Cl500 b:52.0 occ:1.00	O	B:HOH1366	2.8	42.1	1.0
	NH1	B:ARG314	3.1	32.3	1.0
	CB	B:ARG314	3.5	30.9	1.0
	O	B:HOH1283	3.7	34.5	1.0
	CD	B:ARG314	3.8	31.5	1.0
	CG	B:ARG314	3.8	31.7	1.0
	CE2	B:PHE87	3.9	28.1	1.0
	CD2	B:PHE87	4.0	27.0	1.0
	CE2	B:PHE60	4.1	29.6	1.0
	CZ	B:ARG314	4.2	33.1	1.0
	OG1	B:THR312	4.4	23.4	1.0
	NE	B:ARG314	4.4	32.1	1.0
	CA	B:ARG314	4.6	30.6	1.0
	CZ	B:PHE60	4.7	29.7	1.0
	N	B:ARG314	4.9	29.1	1.0
	CZ	B:PHE87	4.9	26.5	1.0
	CZ2	B:TRP308	5.0	25.6	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: Fri Jul 11 03:29:55 2025

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