Chlorine in PDB 2e4o: X-Ray Crystal Structure of Aristolochene Synthase From Aspergillus Terreus and the Evolution of Templates For the Cyclization of Farnesyl Diphosphate

Enzymatic activity of X-Ray Crystal Structure of Aristolochene Synthase From Aspergillus Terreus and the Evolution of Templates For the Cyclization of Farnesyl Diphosphate

All present enzymatic activity of X-Ray Crystal Structure of Aristolochene Synthase From Aspergillus Terreus and the Evolution of Templates For the Cyclization of Farnesyl Diphosphate:
4.2.3.9;

Protein crystallography data

The structure of X-Ray Crystal Structure of Aristolochene Synthase From Aspergillus Terreus and the Evolution of Templates For the Cyclization of Farnesyl Diphosphate, PDB code: 2e4o was solved by E.Y.Shishova, L.Di Costanzo, D.E.Cane, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	50.00 / 2.20
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	61.190, 147.242, 83.736, 90.00, 97.91, 90.00
*R / R_free (%)*	22.2 / 27.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Crystal Structure of Aristolochene Synthase From Aspergillus Terreus and the Evolution of Templates For the Cyclization of Farnesyl Diphosphate (pdb code 2e4o). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the X-Ray Crystal Structure of Aristolochene Synthase From Aspergillus Terreus and the Evolution of Templates For the Cyclization of Farnesyl Diphosphate, PDB code: 2e4o:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 2e4o

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Chlorine Binding Sites List in 2e4o

Chlorine binding site 1 out of 2 in the X-Ray Crystal Structure of Aristolochene Synthase From Aspergillus Terreus and the Evolution of Templates For the Cyclization of Farnesyl Diphosphate

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Crystal Structure of Aristolochene Synthase From Aspergillus Terreus and the Evolution of Templates For the Cyclization of Farnesyl Diphosphate within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Cl506 b:60.5 occ:1.00	NH1	B:ARG314	3.0	65.6	1.0
	OH	B:TYR315	3.5	36.5	1.0
	NH2	B:ARG314	3.9	69.5	1.0
	CZ	B:ARG314	3.9	70.7	1.0
	CE2	B:TYR315	4.3	34.6	1.0
	CZ	B:TYR315	4.4	37.0	1.0
	OD1	B:ASN219	4.6	31.0	1.0
	CH2	B:TRP308	4.8	39.4	1.0

Chlorine binding site 2 out of 2 in 2e4o

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Chlorine Binding Sites List in 2e4o

Chlorine binding site 2 out of 2 in the X-Ray Crystal Structure of Aristolochene Synthase From Aspergillus Terreus and the Evolution of Templates For the Cyclization of Farnesyl Diphosphate

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Crystal Structure of Aristolochene Synthase From Aspergillus Terreus and the Evolution of Templates For the Cyclization of Farnesyl Diphosphate within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
C:Cl507 b:56.3 occ:1.00	NH1	C:ARG314	2.9	55.5	1.0
	OH	C:TYR315	3.5	35.8	1.0
	CZ	C:ARG314	3.7	64.0	1.0
	NH2	C:ARG314	3.7	65.5	1.0
	CE2	C:TYR315	4.2	38.9	1.0
	CZ	C:TYR315	4.3	37.2	1.0
	OD1	C:ASN219	4.7	26.4	1.0
	CH2	C:TRP308	4.7	40.1	1.0
	O	C:HOH515	5.0	34.0	1.0

Reference:

E.Y.Shishova, L.Di Costanzo, D.E.Cane, D.W.Christianson. X-Ray Crystal Structure of Aristolochene Synthase From Aspergillus Terreus and Evolution of Templates For the Cyclization of Farnesyl Diphosphate. Biochemistry V. 46 1941 2007.
ISSN: ISSN 0006-2960
PubMed: 17261032
DOI: 10.1021/BI0622524

Page generated: Sat Dec 12 09:03:44 2020

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