Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4KUX

Crystal structure of Aspergillus terreus aristolochene synthase complexed with farnesyl thiolodiphosphate (FSPP)

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0008299	biological_process	isoprenoid biosynthetic process
A	0010333	molecular_function	terpene synthase activity
A	0016829	molecular_function	lyase activity
A	0016838	molecular_function	carbon-oxygen lyase activity, acting on phosphates
A	0045483	molecular_function	aristolochene synthase activity
A	0046872	molecular_function	metal ion binding
B	0008299	biological_process	isoprenoid biosynthetic process
B	0010333	molecular_function	terpene synthase activity
B	0016829	molecular_function	lyase activity
B	0016838	molecular_function	carbon-oxygen lyase activity, acting on phosphates
B	0045483	molecular_function	aristolochene synthase activity
B	0046872	molecular_function	metal ion binding
C	0008299	biological_process	isoprenoid biosynthetic process
C	0010333	molecular_function	terpene synthase activity
C	0016829	molecular_function	lyase activity
C	0016838	molecular_function	carbon-oxygen lyase activity, acting on phosphates
C	0045483	molecular_function	aristolochene synthase activity
C	0046872	molecular_function	metal ion binding
D	0008299	biological_process	isoprenoid biosynthetic process
D	0010333	molecular_function	terpene synthase activity
D	0016829	molecular_function	lyase activity
D	0016838	molecular_function	carbon-oxygen lyase activity, acting on phosphates
D	0045483	molecular_function	aristolochene synthase activity
D	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG A 701

Chain	Residue
A	ASP84
A	MG702
A	FPS704
A	HOH993
A	HOH994
A	HOH995

site_id	AC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MG A 702

Chain	Residue
A	HOH995
A	HOH996
A	HOH1004
A	HOH1006
A	ASP84
A	MG701
A	FPS704

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG A 703

Chain	Residue
A	ASN213
A	SER217
A	GLU221
A	FPS704
A	HOH1109

site_id	AC4
Number of Residues	25
Details	BINDING SITE FOR RESIDUE FPS A 704

Chain	Residue
A	TYR61
A	LEU77
A	PHE81
A	ASP84
A	PHE147
A	ARG169
A	VAL173
A	LEU178
A	ASN213
A	SER217
A	LYS220
A	GLU221
A	ASN299
A	TRP302
A	ARG308
A	TYR309
A	MG701
A	MG702
A	MG703
A	HOH862
A	HOH993
A	HOH994
A	HOH995
A	HOH996
A	HOH1109

site_id	AC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MG B 401

Chain	Residue
B	ASP84
B	MG403
B	FPS405
B	HOH793
B	HOH794
B	HOH795
B	HOH799

site_id	AC6
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL B 402

Chain	Residue
B	ARG107
B	GLU142
B	ARG149
C	ARG197
C	GLU200
C	LEU280
C	HOH803
C	HOH984

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG B 403

Chain	Residue
B	ASP84
B	MG401
B	FPS405
B	HOH789
B	HOH799
B	HOH832

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG B 404

Chain	Residue
B	ASN213
B	SER217
B	GLU221
B	FPS405
B	HOH791

site_id	AC9
Number of Residues	23
Details	BINDING SITE FOR RESIDUE FPS B 405

Chain	Residue
B	TYR61
B	LEU77
B	PHE81
B	ASP84
B	PHE147
B	ARG169
B	VAL173
B	LEU178
B	ASN213
B	SER217
B	LYS220
B	GLU221
B	ASN299
B	TRP302
B	ARG308
B	TYR309
B	MG401
B	MG403
B	MG404
B	HOH789
B	HOH793
B	HOH799
B	HOH832

site_id	BC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MG C 701

Chain	Residue
C	ASP84
C	MG702
C	FPS705
C	HOH933
C	HOH934
C	HOH935
C	HOH936

site_id	BC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG C 702

Chain	Residue
C	ASP84
C	MG701
C	FPS705
C	HOH930
C	HOH931
C	HOH933

site_id	BC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG C 703

Chain	Residue
C	ASN213
C	SER217
C	GLU221
C	FPS705
C	HOH938

site_id	BC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL C 704

Chain	Residue
B	ARG197
B	LEU275
C	ARG107
C	GLU142
C	ARG149

site_id	BC5
Number of Residues	22
Details	BINDING SITE FOR RESIDUE FPS C 705

Chain	Residue
C	TYR61
C	PHE81
C	ASP84
C	PHE147
C	ARG169
C	VAL173
C	ASN213
C	SER217
C	LYS220
C	GLU221
C	ASN299
C	TRP302
C	ARG308
C	TYR309
C	MG701
C	MG702
C	MG703
C	HOH827
C	HOH930
C	HOH931
C	HOH933
C	HOH936

site_id	BC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG D 701

Chain	Residue
D	ASN213
D	SER217
D	GLU221
D	FPS704
D	HOH860

site_id	BC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG D 702

Chain	Residue
D	ASP84
D	MG703
D	FPS704
D	HOH856
D	HOH857
D	HOH858

site_id	BC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MG D 703

Chain	Residue
D	ASP84
D	MG702
D	FPS704
D	HOH858
D	HOH861
D	HOH910
D	HOH914

site_id	BC9
Number of Residues	20
Details	BINDING SITE FOR RESIDUE FPS D 704

Chain	Residue
D	TYR61
D	PHE81
D	ASP84
D	PHE147
D	ARG169
D	VAL173
D	ASN213
D	SER217
D	LYS220
D	GLU221
D	ARG308
D	TYR309
D	MG701
D	MG702
D	MG703
D	HOH856
D	HOH857
D	HOH858
D	HOH906
D	HOH914

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"PubMed","id":"17261032","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18385128","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	12
Details	Binding site: {"evidences":[{"source":"PubMed","id":"17261032","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18385128","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3BNX","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	8
Details	Binding site: {"evidences":[{"source":"PubMed","id":"18385128","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3BNX","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)