1IV3

Structure of 2C-Methyl-D-erythritol-2,4-cyclodiphosphate Synthase (bound form MG atoms)

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0008299	biological_process	isoprenoid biosynthetic process
A	0008685	molecular_function	2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase activity
A	0016114	biological_process	terpenoid biosynthetic process
A	0016829	molecular_function	lyase activity
A	0019288	biological_process	isopentenyl diphosphate biosynthetic process, methylerythritol 4-phosphate pathway
A	0046872	molecular_function	metal ion binding
B	0008299	biological_process	isoprenoid biosynthetic process
B	0008685	molecular_function	2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase activity
B	0016114	biological_process	terpenoid biosynthetic process
B	0016829	molecular_function	lyase activity
B	0019288	biological_process	isopentenyl diphosphate biosynthetic process, methylerythritol 4-phosphate pathway
B	0046872	molecular_function	metal ion binding
C	0008299	biological_process	isoprenoid biosynthetic process
C	0008685	molecular_function	2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase activity
C	0016114	biological_process	terpenoid biosynthetic process
C	0016829	molecular_function	lyase activity
C	0019288	biological_process	isopentenyl diphosphate biosynthetic process, methylerythritol 4-phosphate pathway
C	0046872	molecular_function	metal ion binding
D	0008299	biological_process	isoprenoid biosynthetic process
D	0008685	molecular_function	2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase activity
D	0016114	biological_process	terpenoid biosynthetic process
D	0016829	molecular_function	lyase activity
D	0019288	biological_process	isopentenyl diphosphate biosynthetic process, methylerythritol 4-phosphate pathway
D	0046872	molecular_function	metal ion binding
E	0008299	biological_process	isoprenoid biosynthetic process
E	0008685	molecular_function	2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase activity
E	0016114	biological_process	terpenoid biosynthetic process
E	0016829	molecular_function	lyase activity
E	0019288	biological_process	isopentenyl diphosphate biosynthetic process, methylerythritol 4-phosphate pathway
E	0046872	molecular_function	metal ion binding
F	0008299	biological_process	isoprenoid biosynthetic process
F	0008685	molecular_function	2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase activity
F	0016114	biological_process	terpenoid biosynthetic process
F	0016829	molecular_function	lyase activity
F	0019288	biological_process	isopentenyl diphosphate biosynthetic process, methylerythritol 4-phosphate pathway
F	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG A 1561

Chain	Residue
A	ASP8
A	HIS10
A	HIS42
A	HOH1662

---

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG B 1562

Chain	Residue
B	ASP208
B	HIS210
B	HIS242
B	HOH1609

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG C 1563

Chain	Residue
C	HIS410
C	HIS442
C	HOH1599
C	ASP408

---

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG D 1564

Chain	Residue
D	ASP1008
D	HIS1010
D	HIS1042
F	HOH500

---

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG E 1565

Chain	Residue
E	HOH552
E	ASP1208
E	HIS1210
E	HIS1242

---

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG F 1566

Chain	Residue
F	HOH490
F	ASP1408
F	HIS1410
F	HIS1442

---

Functional Information from PROSITE/UniProt

site_id	PS01350
Number of Residues	16
Details	ISPF 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase signature. SDGDAAmHAltDAllS

Chain	Residue	Details
A	SER35-SER50

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	36
Details	BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00107

Chain	Residue	Details
A	ASP8
B	HIS242
B	ASP256
B	PHE261
C	ASP408
C	HIS410
C	HIS434
C	HIS442
C	ASP456
C	PHE461
D	ASP1008
A	HIS10
D	HIS1010
D	HIS1034
D	HIS1042
D	ASP1056
D	PHE1061
E	ASP1208
E	HIS1210
E	HIS1234
E	HIS1242
E	ASP1256
A	HIS34
E	PHE1261
F	ASP1408
F	HIS1410
F	HIS1434
F	HIS1442
F	ASP1456
F	PHE1461
A	HIS42
A	ASP56
A	PHE61
B	ASP208
B	HIS210
B	HIS234

---

site_id	SWS_FT_FI2
Number of Residues	12
Details	BINDING:

Chain	Residue	Details
A	LEU100
E	PHE1331
F	LEU1500
F	PHE1531
A	PHE131
B	LEU300
B	PHE331
C	LEU500
C	PHE531
D	LEU1100
D	PHE1131
E	LEU1300

---

site_id	SWS_FT_FI3
Number of Residues	12
Details	SITE: Transition state stabilizer => ECO:0000255|HAMAP-Rule:MF_00107

Chain	Residue	Details
A	HIS34
E	THR1333
F	HIS1434
F	THR1533
A	THR133
B	HIS234
B	THR333
C	HIS434
C	THR533
D	HIS1034
D	THR1133
E	HIS1234

---