4OKZ

Selinadiene Synthase in complex with dihydrofarnesyl pyrophosphate

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000287	molecular_function	magnesium ion binding
A	0010333	molecular_function	terpene synthase activity
A	0016114	biological_process	terpenoid biosynthetic process
A	0016829	molecular_function	lyase activity
A	0046872	molecular_function	metal ion binding
B	0000287	molecular_function	magnesium ion binding
B	0010333	molecular_function	terpene synthase activity
B	0016114	biological_process	terpenoid biosynthetic process
B	0016829	molecular_function	lyase activity
B	0046872	molecular_function	metal ion binding
C	0000287	molecular_function	magnesium ion binding
C	0010333	molecular_function	terpene synthase activity
C	0016114	biological_process	terpenoid biosynthetic process
C	0016829	molecular_function	lyase activity
C	0046872	molecular_function	metal ion binding
D	0000287	molecular_function	magnesium ion binding
D	0010333	molecular_function	terpene synthase activity
D	0016114	biological_process	terpenoid biosynthetic process
D	0016829	molecular_function	lyase activity
D	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MG A 901

Chain	Residue
A	ASP82
A	GLU87
A	MG902
A	3E9904
A	HOH1231
A	HOH1274
A	HOH1281

---

site_id	AC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MG A 902

Chain	Residue
A	MG901
A	3E9904
A	HOH1015
A	HOH1257
A	HOH1258
A	ASP82
A	GLU87

---

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG A 903

Chain	Residue
A	ASN224
A	SER228
A	GLU232
A	3E9904
A	HOH1267

---

site_id	AC4
Number of Residues	24
Details	BINDING SITE FOR RESIDUE 3E9 A 904

Chain	Residue
A	LEU78
A	PHE79
A	ASP82
A	GLU87
A	ARG178
A	GLY182
A	ALA183
A	ASN224
A	SER228
A	LYS231
A	GLU232
A	ARG310
A	TYR311
A	MG901
A	MG902
A	MG903
A	HOH1041
A	HOH1045
A	HOH1231
A	HOH1257
A	HOH1258
A	HOH1267
A	HOH1274
A	HOH1281

---

site_id	AC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MG B 901

Chain	Residue
B	ASP82
B	GLU87
B	MG902
B	3E9904
B	HOH1294
B	HOH1310
B	HOH1316

---

site_id	AC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MG B 902

Chain	Residue
B	ASP82
B	GLU87
B	MG901
B	3E9904
B	HOH1272
B	HOH1308
B	HOH1322

---

site_id	AC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG B 903

Chain	Residue
B	ASN224
B	SER228
B	GLU232
B	3E9904
B	HOH1309

---

site_id	AC8
Number of Residues	24
Details	BINDING SITE FOR RESIDUE 3E9 B 904

Chain	Residue
B	PHE55
B	LEU78
B	PHE79
B	ASP82
B	GLU87
B	ARG178
B	GLY182
B	ALA183
B	ASN224
B	SER228
B	LYS231
B	GLU232
B	ARG310
B	TYR311
B	MG901
B	MG902
B	MG903
B	HOH1030
B	HOH1294
B	HOH1308
B	HOH1309
B	HOH1310
B	HOH1316
B	HOH1322

---

site_id	AC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MG C 901

Chain	Residue
C	ASP82
C	GLU87
C	MG902
C	3E9904
C	HOH1014
C	HOH1288
C	HOH1293

---

site_id	BC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MG C 902

Chain	Residue
C	HOH1298
C	ASP82
C	GLU87
C	MG901
C	3E9904
C	HOH1273
C	HOH1289

---

site_id	BC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG C 903

Chain	Residue
C	ASN224
C	SER228
C	GLU232
C	3E9904
C	HOH1294

---

site_id	BC3
Number of Residues	26
Details	BINDING SITE FOR RESIDUE 3E9 C 904

Chain	Residue
C	PHE55
C	LEU78
C	PHE79
C	ASP82
C	GLU87
C	TYR152
C	ARG178
C	GLY182
C	ALA183
C	ILE220
C	ASN224
C	SER228
C	LYS231
C	GLU232
C	ARG310
C	TYR311
C	MG901
C	MG902
C	MG903
C	HOH1014
C	HOH1042
C	HOH1288
C	HOH1289
C	HOH1293
C	HOH1294
C	HOH1298

---

site_id	BC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG D 901

Chain	Residue
D	GLU87
D	MG902
D	3E9904
D	HOH1213
D	HOH1254
D	HOH1263

---

site_id	BC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MG D 902

Chain	Residue
D	ASP82
D	GLU87
D	MG901
D	3E9904
D	HOH1227
D	HOH1251
D	HOH1264

---

site_id	BC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG D 903

Chain	Residue
D	ASN224
D	SER228
D	GLU232
D	3E9904
D	HOH1262

---

site_id	BC7
Number of Residues	24
Details	BINDING SITE FOR RESIDUE 3E9 D 904

Chain	Residue
D	PHE55
D	PHE79
D	ASP82
D	GLU87
D	TYR152
D	ARG178
D	GLY182
D	ALA183
D	ILE220
D	ASN224
D	SER228
D	LYS231
D	GLU232
D	ARG310
D	TYR311
D	MG901
D	MG902
D	MG903
D	HOH1082
D	HOH1213
D	HOH1251
D	HOH1254
D	HOH1262
D	HOH1263

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	20
Details	Motif: {"description":"DDXXXE motif","evidences":[{"source":"PubMed","id":"24890698","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	28
Details	Binding site: {"evidences":[{"source":"PubMed","id":"24890698","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4OKM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4OKZ","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"PubMed","id":"24890698","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4OKZ","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	8
Details	Site: {"description":"Plays a critical role in the stabilization of intermediate cation","evidences":[{"source":"PubMed","id":"24890698","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	8
Details	Site: {"description":"Plays a critical role for substrate recognition","evidences":[{"source":"PubMed","id":"24890698","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	4
Details	Site: {"description":"Plays a critical role for abstraction of the pyrophosphate group","evidences":[{"source":"PubMed","id":"24890698","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---