4OKM

Selinadiene Synthase apo and in complex with diphosphate

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	6
Details	BINDING SITE FOR RESIDUE MG A 901

Chain	Residue
A	GLU87
A	MG902
A	PPV904
A	HOH1072
A	HOH1202
A	HOH1204

---

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

Chain	Residue
A	PPV904
A	HOH1125
A	HOH1191
A	HOH1203
A	ASP82
A	GLU87
A	MG901

---

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

Chain	Residue
A	ASN224
A	SER228
A	GLU232
A	PPV904
A	HOH1196

---

site_id	AC4
Number of Residues	19
Details	BINDING SITE FOR RESIDUE PPV A 904

Chain	Residue
A	PHE79
A	ASP82
A	GLU87
A	ARG178
A	ASN224
A	SER228
A	LYS231
A	GLU232
A	ARG310
A	TYR311
A	MG901
A	MG902
A	MG903
A	HOH1020
A	HOH1072
A	HOH1191
A	HOH1202
A	HOH1203
A	HOH1204

---

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG B 901

Chain	Residue
B	GLU87
B	MG902
B	PPV904
B	HOH1213
B	HOH1218
B	HOH1230

---

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

Chain	Residue
B	ASP82
B	GLU87
B	MG901
B	PPV904
B	HOH1003
B	HOH1017
B	HOH1107

---

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

Chain	Residue
B	ASN224
B	SER228
B	GLU232
B	PPV904
B	HOH1236

---

site_id	AC8
Number of Residues	19
Details	BINDING SITE FOR RESIDUE PPV B 904

Chain	Residue
B	ASP82
B	GLU87
B	ARG178
B	ASN224
B	SER228
B	LYS231
B	GLU232
B	ARG310
B	TYR311
B	MG901
B	MG902
B	MG903
B	HOH1017
B	HOH1047
B	HOH1107
B	HOH1213
B	HOH1218
B	HOH1230
B	HOH1236

---

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

Chain	Residue
C	ASP82
C	GLU87
C	MG902
C	PPV904
C	HOH1010
C	HOH1186
C	HOH1206

---

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

Chain	Residue
C	ASP82
C	GLU87
C	MG901
C	PPV904
C	HOH1023
C	HOH1086
C	HOH1205

---

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

Chain	Residue
C	ASN224
C	SER228
C	GLU232
C	PPV904
C	HOH1202

---

site_id	BC3
Number of Residues	19
Details	BINDING SITE FOR RESIDUE PPV C 904

Chain	Residue
C	GLU232
C	ARG310
C	TYR311
C	MG901
C	MG902
C	MG903
C	HOH1010
C	HOH1016
C	HOH1086
C	HOH1186
C	HOH1202
C	HOH1205
C	HOH1206
C	ASP82
C	GLU87
C	ARG178
C	ASN224
C	SER228
C	LYS231

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	28
Details	BINDING: BINDING => ECO:0000269|PubMed:24890698, ECO:0007744|PDB:4OKM, ECO:0007744|PDB:4OKZ

Chain	Residue	Details
A	ASP82
B	ARG178
B	ASN224
B	SER228
B	GLU232
B	ARG310
C	ASP82
C	GLU87
C	ARG178
C	ASN224
C	SER228
A	GLU87
C	GLU232
C	ARG310
D	ASP82
D	GLU87
D	ARG178
D	ASN224
D	SER228
D	GLU232
D	ARG310
A	ARG178
A	ASN224
A	SER228
A	GLU232
A	ARG310
B	ASP82
B	GLU87

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	BINDING: BINDING => ECO:0000269|PubMed:24890698, ECO:0007744|PDB:4OKZ

Chain	Residue	Details
A	LYS231
B	LYS231
C	LYS231
D	LYS231

---

site_id	SWS_FT_FI3
Number of Residues	8
Details	SITE: Plays a critical role in the stabilization of intermediate cation => ECO:0000269|PubMed:24890698

Chain	Residue	Details
A	PHE55
A	PHE79
B	PHE55
B	PHE79
C	PHE55
C	PHE79
D	PHE55
D	PHE79

---

site_id	SWS_FT_FI4
Number of Residues	8
Details	SITE: Plays a critical role for substrate recognition => ECO:0000269|PubMed:24890698

Chain	Residue	Details
A	ASP83
A	GLU159
B	ASP83
B	GLU159
C	ASP83
C	GLU159
D	ASP83
D	GLU159

---

site_id	SWS_FT_FI5
Number of Residues	4
Details	SITE: Plays a critical role for abstraction of the pyrophosphate group => ECO:0000269|PubMed:24890698

Chain	Residue	Details
A	GLY182
B	GLY182
C	GLY182
D	GLY182

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