3CKE

Crystal structure of aristolochene synthase in complex with 12,13-difluorofarnesyl diphosphate

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0008299	biological_process	isoprenoid biosynthetic process
A	0016829	molecular_function	lyase activity
A	0044281	biological_process	small molecule metabolic process
A	0045483	molecular_function	aristolochene synthase activity
A	0046872	molecular_function	metal ion binding
B	0008299	biological_process	isoprenoid biosynthetic process
B	0016829	molecular_function	lyase activity
B	0044281	biological_process	small molecule metabolic process
B	0045483	molecular_function	aristolochene synthase activity
B	0046872	molecular_function	metal ion binding
C	0008299	biological_process	isoprenoid biosynthetic process
C	0016829	molecular_function	lyase activity
C	0044281	biological_process	small molecule metabolic process
C	0045483	molecular_function	aristolochene synthase activity
C	0046872	molecular_function	metal ion binding
D	0008299	biological_process	isoprenoid biosynthetic process
D	0016829	molecular_function	lyase activity
D	0044281	biological_process	small molecule metabolic process
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	3
Details	BINDING SITE FOR RESIDUE MG D 701

Chain	Residue
D	ASN219
D	SER223
D	GLU227

---

site_id	AC2
Number of Residues	1
Details	BINDING SITE FOR RESIDUE MG D 702

Chain	Residue
D	ASP90

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site_id	AC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL A 500

Chain	Residue
A	ARG273
D	THR255

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site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE BME D 1272

Chain	Residue
D	ARG62
D	CYS65
C	PRO27
C	GLU30
D	CYS25

---

site_id	AC5
Number of Residues	10
Details	BINDING SITE FOR RESIDUE FDF A 400

Chain	Residue
A	TYR67
A	PHE87
A	ASP90
A	PHE153
A	LEU184
A	ASN219
A	ASN305
A	TRP308
A	ARG314
A	TYR315

---

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FDF B 401

Chain	Residue
B	TYR67
B	ASP90
B	PHE153
B	LEU184
B	ASN305
B	ARG314

---

site_id	AC7
Number of Residues	10
Details	BINDING SITE FOR RESIDUE FDF C 402

Chain	Residue
C	LEU83
C	PHE87
C	ASP90
C	PHE153
C	GLN157
C	GLY180
C	LEU184
C	ASN219
C	ARG314
C	TYR315

---

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE POP D 5963

Chain	Residue
D	ASP90
D	ASN219
D	SER223
D	GLU227
D	ARG314
D	TYR315

---

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL C 2647

Chain	Residue
C	PHE60
C	TRP308
C	THR312
C	ARG314

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	16
Details	BINDING: BINDING => ECO:0000269|PubMed:17261032, ECO:0000269|PubMed:18385128

Chain	Residue	Details
A	ASP90
C	ASN219
C	SER223
C	GLU227
D	ASP90
D	ASN219
D	SER223
D	GLU227
A	ASN219
A	SER223
A	GLU227
B	ASP90
B	ASN219
B	SER223
B	GLU227
C	ASP90

---

site_id	SWS_FT_FI2
Number of Residues	8
Details	BINDING: BINDING => ECO:0000269|PubMed:18385128

Chain	Residue	Details
A	ARG175
A	LYS226
B	ARG175
B	LYS226
C	ARG175
C	LYS226
D	ARG175
D	LYS226

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	BINDING:

Chain	Residue	Details
A	ARG314
B	ARG314
C	ARG314
D	ARG314

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	4
Details	Annotated By Reference To The Literature 1di1

Chain	Residue	Details
A	PHE87
A	TRP308
A	TYR67
A	PHE153

---

site_id	CSA2
Number of Residues	4
Details	Annotated By Reference To The Literature 1di1

Chain	Residue	Details
B	PHE87
B	TRP308
B	TYR67
B	PHE153

---

site_id	CSA3
Number of Residues	4
Details	Annotated By Reference To The Literature 1di1

Chain	Residue	Details
C	PHE87
C	TRP308
C	TYR67
C	PHE153

---

site_id	CSA4
Number of Residues	4
Details	Annotated By Reference To The Literature 1di1

Chain	Residue	Details
D	PHE87
D	TRP308
D	TYR67
D	PHE153

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