3F0G

Co-crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase with CMP

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	15
Details	BINDING SITE FOR RESIDUE C5P E 163

Chain	Residue
D	ASP58
E	THR135
E	HOH273
E	HOH439
E	HOH487
E	HOH523
E	HOH524
D	GLY60
E	ALA102
E	PRO105
E	LYS106
E	LEU107
E	ALA108
E	ALA133
E	LYS134

---

site_id	AC2
Number of Residues	13
Details	BINDING SITE FOR RESIDUE C5P C 163

Chain	Residue
B	ASP58
B	GLY60
C	ALA102
C	PRO105
C	LYS106
C	LEU107
C	ALA108
C	ALA133
C	LYS134
C	THR135
C	GLU137
C	HOH550
C	HOH552

---

site_id	AC3
Number of Residues	12
Details	BINDING SITE FOR RESIDUE C5P F 163

Chain	Residue
E	ASP58
E	GLY60
F	ALA102
F	PRO105
F	LYS106
F	LEU107
F	ALA108
F	ALA133
F	LYS134
F	THR135
F	HOH554
F	HOH555

---

site_id	AC4
Number of Residues	12
Details	BINDING SITE FOR RESIDUE C5P D 163

Chain	Residue
D	ALA102
D	PRO105
D	LYS106
D	LEU107
D	ALA108
D	ALA133
D	LYS134
D	THR135
D	GLU137
D	HOH354
F	ASP58
F	GLY60

---

site_id	AC5
Number of Residues	12
Details	BINDING SITE FOR RESIDUE C5P B 163

Chain	Residue
A	ASP58
A	GLY60
A	ASP65
B	ALA102
B	PRO105
B	LYS106
B	LEU107
B	ALA108
B	ALA133
B	LYS134
B	THR135
B	GLU137

---

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 163

Chain	Residue
A	ASP10
A	HIS12
A	HIS44
B	HOH197

---

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN D 164

Chain	Residue
D	ASP10
D	HIS12
D	HIS44
E	HOH180

---

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN F 164

Chain	Residue
D	HOH170
F	ASP10
F	HIS12
F	HIS44

---

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN E 164

Chain	Residue
E	ASP10
E	HIS12
E	HIS44
F	HOH427

---

site_id	BC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE ZN B 164

Chain	Residue
B	ASP10
B	HIS12
B	HIS44

---

site_id	BC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN C 164

Chain	Residue
C	ASP10
C	HIS12
C	HIS44
C	HOH424

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	SER37-GLY52

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	61
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00107","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	110
Details	Binding site: {}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	11
Details	Site: {"description":"Transition state stabilizer","evidences":[{"source":"HAMAP-Rule","id":"MF_00107","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---