Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

1DUB

2-ENOYL-COA HYDRATASE, DATA COLLECTED AT 100 K, PH 6.5

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003824	molecular_function	catalytic activity
A	0004165	molecular_function	delta(3)-delta(2)-enoyl-CoA isomerase activity
A	0004300	molecular_function	enoyl-CoA hydratase activity
A	0005739	cellular_component	mitochondrion
A	0005759	cellular_component	mitochondrial matrix
A	0006574	biological_process	L-valine catabolic process
A	0006629	biological_process	lipid metabolic process
A	0006631	biological_process	fatty acid metabolic process
A	0006635	biological_process	fatty acid beta-oxidation
A	0016829	molecular_function	lyase activity
A	0016853	molecular_function	isomerase activity
A	0018812	molecular_function	3-hydroxyacyl-CoA dehydratase activity
A	0043956	molecular_function	3-hydroxypropionyl-CoA dehydratase activity
A	0120092	molecular_function	(2E)-butenoyl-CoA hydratase activity
B	0003824	molecular_function	catalytic activity
B	0004165	molecular_function	delta(3)-delta(2)-enoyl-CoA isomerase activity
B	0004300	molecular_function	enoyl-CoA hydratase activity
B	0005739	cellular_component	mitochondrion
B	0005759	cellular_component	mitochondrial matrix
B	0006574	biological_process	L-valine catabolic process
B	0006629	biological_process	lipid metabolic process
B	0006631	biological_process	fatty acid metabolic process
B	0006635	biological_process	fatty acid beta-oxidation
B	0016829	molecular_function	lyase activity
B	0016853	molecular_function	isomerase activity
B	0018812	molecular_function	3-hydroxyacyl-CoA dehydratase activity
B	0043956	molecular_function	3-hydroxypropionyl-CoA dehydratase activity
B	0120092	molecular_function	(2E)-butenoyl-CoA hydratase activity
C	0003824	molecular_function	catalytic activity
C	0004165	molecular_function	delta(3)-delta(2)-enoyl-CoA isomerase activity
C	0004300	molecular_function	enoyl-CoA hydratase activity
C	0005739	cellular_component	mitochondrion
C	0005759	cellular_component	mitochondrial matrix
C	0006574	biological_process	L-valine catabolic process
C	0006629	biological_process	lipid metabolic process
C	0006631	biological_process	fatty acid metabolic process
C	0006635	biological_process	fatty acid beta-oxidation
C	0016829	molecular_function	lyase activity
C	0016853	molecular_function	isomerase activity
C	0018812	molecular_function	3-hydroxyacyl-CoA dehydratase activity
C	0043956	molecular_function	3-hydroxypropionyl-CoA dehydratase activity
C	0120092	molecular_function	(2E)-butenoyl-CoA hydratase activity
D	0003824	molecular_function	catalytic activity
D	0004165	molecular_function	delta(3)-delta(2)-enoyl-CoA isomerase activity
D	0004300	molecular_function	enoyl-CoA hydratase activity
D	0005739	cellular_component	mitochondrion
D	0005759	cellular_component	mitochondrial matrix
D	0006574	biological_process	L-valine catabolic process
D	0006629	biological_process	lipid metabolic process
D	0006631	biological_process	fatty acid metabolic process
D	0006635	biological_process	fatty acid beta-oxidation
D	0016829	molecular_function	lyase activity
D	0016853	molecular_function	isomerase activity
D	0018812	molecular_function	3-hydroxyacyl-CoA dehydratase activity
D	0043956	molecular_function	3-hydroxypropionyl-CoA dehydratase activity
D	0120092	molecular_function	(2E)-butenoyl-CoA hydratase activity
E	0003824	molecular_function	catalytic activity
E	0004165	molecular_function	delta(3)-delta(2)-enoyl-CoA isomerase activity
E	0004300	molecular_function	enoyl-CoA hydratase activity
E	0005739	cellular_component	mitochondrion
E	0005759	cellular_component	mitochondrial matrix
E	0006574	biological_process	L-valine catabolic process
E	0006629	biological_process	lipid metabolic process
E	0006631	biological_process	fatty acid metabolic process
E	0006635	biological_process	fatty acid beta-oxidation
E	0016829	molecular_function	lyase activity
E	0016853	molecular_function	isomerase activity
E	0018812	molecular_function	3-hydroxyacyl-CoA dehydratase activity
E	0043956	molecular_function	3-hydroxypropionyl-CoA dehydratase activity
E	0120092	molecular_function	(2E)-butenoyl-CoA hydratase activity
F	0003824	molecular_function	catalytic activity
F	0004165	molecular_function	delta(3)-delta(2)-enoyl-CoA isomerase activity
F	0004300	molecular_function	enoyl-CoA hydratase activity
F	0005739	cellular_component	mitochondrion
F	0005759	cellular_component	mitochondrial matrix
F	0006574	biological_process	L-valine catabolic process
F	0006629	biological_process	lipid metabolic process
F	0006631	biological_process	fatty acid metabolic process
F	0006635	biological_process	fatty acid beta-oxidation
F	0016829	molecular_function	lyase activity
F	0016853	molecular_function	isomerase activity
F	0018812	molecular_function	3-hydroxyacyl-CoA dehydratase activity
F	0043956	molecular_function	3-hydroxypropionyl-CoA dehydratase activity
F	0120092	molecular_function	(2E)-butenoyl-CoA hydratase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	27
Details	BINDING SITE FOR RESIDUE CAA A 300

Chain	Residue
A	ASP99
A	ILE100
A	LYS101
A	LEU117
A	LEU139
A	GLY140
A	GLY141
A	GLU144
A	PRO163
A	GLU164
A	LEU167
A	GLY172
A	HOH357
A	HOH372
A	HOH378
B	PHE279
B	LYS282
E	CAA300
E	HOH394
F	LYS282
A	LYS56
A	ALA57
A	LEU58
A	ALA60
A	LYS92
A	ALA96
A	ALA98

site_id	AC2
Number of Residues	23
Details	BINDING SITE FOR RESIDUE CAA B 300

Chain	Residue
B	LYS56
B	ALA57
B	LEU58
B	ALA60
B	LYS92
B	ALA96
B	ALA98
B	ASP99
B	ILE100
B	LYS101
B	MET103
B	LEU117
B	LEU139
B	GLY140
B	GLY141
B	GLU144
B	PRO163
B	GLU164
B	LEU167
B	GLY172
B	HOH369
C	PHE279
C	LYS282

site_id	AC3
Number of Residues	24
Details	BINDING SITE FOR RESIDUE CAA C 300

Chain	Residue
A	PHE263
A	PHE279
A	LYS282
C	LYS43
C	ASN44
C	LYS56
C	ALA57
C	LEU58
C	ALA60
C	LYS92
C	ALA96
C	GLY97
C	ALA98
C	ILE100
C	LEU117
C	TYR137
C	LEU139
C	GLY140
C	GLY141
C	GLU144
C	PRO163
C	GLU164
C	LEU167
C	GLY172

site_id	AC4
Number of Residues	27
Details	BINDING SITE FOR RESIDUE CAA E 300

Chain	Residue
E	HOH394
F	PHE263
F	PHE279
F	LYS282
A	CAA300
B	LYS282
E	LYS56
E	ALA57
E	LEU58
E	ALA60
E	LYS92
E	ALA96
E	ALA98
E	ASP99
E	ILE100
E	LYS101
E	MET103
E	LEU139
E	GLY140
E	GLY141
E	GLU144
E	PRO163
E	GLU164
E	LEU167
E	GLY172
E	HOH358
E	HOH360

site_id	AC5
Number of Residues	22
Details	BINDING SITE FOR RESIDUE CAA F 300

Chain	Residue
D	PHE263
D	PHE279
F	LYS56
F	ALA57
F	LEU58
F	ALA60
F	LYS92
F	ALA96
F	ALA98
F	ASP99
F	ILE100
F	LYS101
F	LEU117
F	TYR137
F	LEU139
F	GLY140
F	GLY141
F	GLU144
F	PRO163
F	GLU164
F	LEU167
F	GLY172

site_id	CR1
Number of Residues	1
Details	CATALYTIC RESIDUE 1.

Chain	Residue
A	GLU144

site_id	CR2
Number of Residues	1
Details	CATALYTIC RESIDUE 2.

Chain	Residue
A	GLU164

Functional Information from PROSITE/UniProt

site_id	PS00166
Number of Residues	21
Details	ENOYL_COA_HYDRATASE Enoyl-CoA hydratase/isomerase signature. IAaVNGyalGGGcelaMmCDI

Chain	Residue	Details
A	ILE131-ILE151

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	24
Details	Binding site: {}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	6
Details	Site: {"description":"Important for catalytic activity"}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	12
Details	Modified residue: {"description":"N6-succinyllysine; alternate","evidences":[{"source":"UniProtKB","id":"Q8BH95","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	6
Details	Modified residue: {"description":"N6-succinyllysine","evidences":[{"source":"UniProtKB","id":"Q8BH95","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

site_id	SWS_FT_FI5
Number of Residues	6
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"UniProtKB","id":"Q8BH95","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

Catalytic Information from CSA

site_id	CSA1
Number of Residues	4
Details	a catalytic site defined by CSA, PubMed 11851409

Chain	Residue	Details
A	ALA98
A	GLU164
A	GLY141
A	GLU144

site_id	CSA2
Number of Residues	4
Details	a catalytic site defined by CSA, PubMed 11851409

Chain	Residue	Details
B	ALA98
B	GLU164
B	GLY141
B	GLU144

site_id	CSA3
Number of Residues	4
Details	a catalytic site defined by CSA, PubMed 11851409

Chain	Residue	Details
C	ALA98
C	GLU164
C	GLY141
C	GLU144

site_id	CSA4
Number of Residues	4
Details	a catalytic site defined by CSA, PubMed 11851409

Chain	Residue	Details
D	ALA98
D	GLU164
D	GLY141
D	GLU144

site_id	CSA5
Number of Residues	4
Details	a catalytic site defined by CSA, PubMed 11851409

Chain	Residue	Details
E	ALA98
E	GLU164
E	GLY141
E	GLU144

site_id	CSA6
Number of Residues	4
Details	a catalytic site defined by CSA, PubMed 11851409

Chain	Residue	Details
F	ALA98
F	GLU164
F	GLY141
F	GLU144

site_id	MCSA1
Number of Residues	4
Details	M-CSA 315

Chain	Residue	Details
A	ALA98	activator, electrostatic stabiliser
A	GLY141	activator, electrostatic stabiliser
A	GLU144	hydrogen bond acceptor, increase basicity
A	GLU164	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor

site_id	MCSA2
Number of Residues	4
Details	M-CSA 315

Chain	Residue	Details
B	ALA98	activator, electrostatic stabiliser
B	GLY141	activator, electrostatic stabiliser
B	GLU144	hydrogen bond acceptor, increase basicity
B	GLU164	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor

site_id	MCSA3
Number of Residues	4
Details	M-CSA 315

Chain	Residue	Details
C	ALA98	activator, electrostatic stabiliser
C	GLY141	activator, electrostatic stabiliser
C	GLU144	hydrogen bond acceptor, increase basicity
C	GLU164	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor

site_id	MCSA4
Number of Residues	4
Details	M-CSA 315

Chain	Residue	Details
D	ALA98	activator, electrostatic stabiliser
D	GLY141	activator, electrostatic stabiliser
D	GLU144	hydrogen bond acceptor, increase basicity
D	GLU164	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor

site_id	MCSA5
Number of Residues	4
Details	M-CSA 315

Chain	Residue	Details
E	ALA98	activator, electrostatic stabiliser
E	GLY141	activator, electrostatic stabiliser
E	GLU144	hydrogen bond acceptor, increase basicity
E	GLU164	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor

site_id	MCSA6
Number of Residues	4
Details	M-CSA 315

Chain	Residue	Details
F	ALA98	activator, electrostatic stabiliser
F	GLY141	activator, electrostatic stabiliser
F	GLU144	hydrogen bond acceptor, increase basicity
F	GLU164	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)