Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

1IV2

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

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	CDP1601

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

Chain	Residue
B	ASP208
B	HIS210
B	HIS242
B	CDP1602

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

Chain	Residue
C	ASP408
C	HIS410
C	HIS442
B	CDP1603

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

Chain	Residue
D	ASP1008
D	HIS1010
D	HIS1042
D	CDP1604

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG E 1565

Chain	Residue
E	HOH453
E	ASP1208
E	HIS1210
E	HIS1242
E	CDP1605

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

Chain	Residue
E	CDP1606
F	ASP1408
F	HIS1410
F	HIS1442

site_id	AC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG A 1571

Chain	Residue
A	CDP1601
A	HOH1638
A	HOH1662
A	HOH1668
C	GLU535

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG B 1572

Chain	Residue
A	GLU135
A	HOH1674
B	CDP1602
B	HOH1674

site_id	AC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MG B 1573

Chain	Residue
B	GLU335
B	CDP1603
B	HOH1690

site_id	BC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MG F 1574

Chain	Residue
D	HOH364
D	CDP1604
F	GLU1535

site_id	BC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE MG E 1575

Chain	Residue
D	GLU1135
E	CDP1605

site_id	BC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MG E 1576

Chain	Residue
E	HOH285
E	GLU1335
E	CDP1606

site_id	BC4
Number of Residues	24
Details	BINDING SITE FOR RESIDUE CDP A 1601

Chain	Residue
A	ASP8
A	HIS10
A	HIS42
A	ASP56
A	GLY58
A	MG1561
A	MG1571
A	HOH1608
A	HOH1638
A	HOH1650
A	HOH1664
A	HOH1666
A	HOH1681
A	HOH1696
C	LEU500
C	PRO503
C	LYS504
C	LEU505
C	GLY506
C	ARG509
C	PHE531
C	LYS532
C	THR533
C	GLU535

site_id	BC5
Number of Residues	23
Details	BINDING SITE FOR RESIDUE CDP B 1602

Chain	Residue
A	LEU100
A	PRO103
A	LYS104
A	LEU105
A	GLY106
A	ARG109
A	PHE131
A	LYS132
A	THR133
A	GLU135
A	HOH1674
B	ASP208
B	HIS210
B	HIS242
B	ASP256
B	ILE257
B	GLY258
B	MG1562
B	MG1572
B	HOH1611
B	HOH1646
B	HOH1674
B	HOH1680

site_id	BC6
Number of Residues	22
Details	BINDING SITE FOR RESIDUE CDP B 1603

Chain	Residue
B	LYS332
B	THR333
B	GLU335
B	MG1573
B	HOH1620
B	HOH1672
B	HOH1686
B	HOH1690
C	ASP408
C	HIS410
C	HIS442
C	ASP456
C	GLY458
C	MG1563
C	HOH1605
B	LEU300
B	PRO303
B	LYS304
B	LEU305
B	GLY306
B	ARG309
B	PHE331

site_id	BC7
Number of Residues	20
Details	BINDING SITE FOR RESIDUE CDP D 1604

Chain	Residue
D	HOH63
D	HOH180
D	HOH364
D	ASP1008
D	HIS1010
D	HIS1042
D	ASP1056
D	GLY1058
D	MG1564
F	LEU1500
F	PRO1503
F	LYS1504
F	LEU1505
F	GLY1506
F	ARG1509
F	PHE1531
F	LYS1532
F	THR1533
F	GLU1535
F	MG1574

site_id	BC8
Number of Residues	21
Details	BINDING SITE FOR RESIDUE CDP E 1605

Chain	Residue
D	LEU1100
D	PRO1103
D	LYS1104
D	LEU1105
D	GLY1106
D	ARG1109
D	PHE1131
D	LYS1132
D	THR1133
D	GLU1135
E	HOH30
E	HOH287
E	HOH427
E	HOH453
E	ASP1208
E	HIS1210
E	HIS1242
E	ASP1256
E	GLY1258
E	MG1565
E	MG1575

site_id	BC9
Number of Residues	23
Details	BINDING SITE FOR RESIDUE CDP E 1606

Chain	Residue
E	HOH57
E	HOH239
E	HOH285
E	LEU1300
E	PRO1303
E	LYS1304
E	LEU1305
E	GLY1306
E	ARG1309
E	PHE1331
E	LYS1332
E	THR1333
E	GLU1335
E	MG1576
F	HOH313
F	HOH469
F	ASP1408
F	HIS1410
F	HIS1442
F	ASP1456
F	ILE1457
F	GLY1458
F	MG1566

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

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)