Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

1MJ3

Crystal Structure Analysis of rat enoyl-CoA hydratase in complex with hexadienoyl-CoA

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	0006631	biological_process	fatty acid metabolic process
A	0006635	biological_process	fatty acid beta-oxidation
A	0016829	molecular_function	lyase activity
A	0016836	molecular_function	hydro-lyase activity
A	0016853	molecular_function	isomerase activity
A	0043956	molecular_function	3-hydroxypropionyl-CoA dehydratase activity
A	0120092	molecular_function	crotonyl-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	0006631	biological_process	fatty acid metabolic process
B	0006635	biological_process	fatty acid beta-oxidation
B	0016829	molecular_function	lyase activity
B	0016836	molecular_function	hydro-lyase activity
B	0016853	molecular_function	isomerase activity
B	0043956	molecular_function	3-hydroxypropionyl-CoA dehydratase activity
B	0120092	molecular_function	crotonyl-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	0006631	biological_process	fatty acid metabolic process
C	0006635	biological_process	fatty acid beta-oxidation
C	0016829	molecular_function	lyase activity
C	0016836	molecular_function	hydro-lyase activity
C	0016853	molecular_function	isomerase activity
C	0043956	molecular_function	3-hydroxypropionyl-CoA dehydratase activity
C	0120092	molecular_function	crotonyl-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	0006631	biological_process	fatty acid metabolic process
D	0006635	biological_process	fatty acid beta-oxidation
D	0016829	molecular_function	lyase activity
D	0016836	molecular_function	hydro-lyase activity
D	0016853	molecular_function	isomerase activity
D	0043956	molecular_function	3-hydroxypropionyl-CoA dehydratase activity
D	0120092	molecular_function	crotonyl-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	0006631	biological_process	fatty acid metabolic process
E	0006635	biological_process	fatty acid beta-oxidation
E	0016829	molecular_function	lyase activity
E	0016836	molecular_function	hydro-lyase activity
E	0016853	molecular_function	isomerase activity
E	0043956	molecular_function	3-hydroxypropionyl-CoA dehydratase activity
E	0120092	molecular_function	crotonyl-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	0006631	biological_process	fatty acid metabolic process
F	0006635	biological_process	fatty acid beta-oxidation
F	0016829	molecular_function	lyase activity
F	0016836	molecular_function	hydro-lyase activity
F	0016853	molecular_function	isomerase activity
F	0043956	molecular_function	3-hydroxypropionyl-CoA dehydratase activity
F	0120092	molecular_function	crotonyl-CoA hydratase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	26
Details	BINDING SITE FOR RESIDUE HXC A 951

Chain	Residue
A	LYS56
A	LYS101
A	LEU117
A	LEU139
A	GLY141
A	PRO163
A	GLU164
A	LEU167
A	GLY172
A	HOH960
A	HOH990
A	ALA57
A	HOH1020
A	HOH1048
A	HOH1060
A	HOH1069
B	PHE279
B	LYS282
F	LYS282
A	LEU58
A	ALA60
A	ALA96
A	GLY97
A	ALA98
A	ASP99
A	ILE100

site_id	AC2
Number of Residues	21
Details	BINDING SITE FOR RESIDUE HXC B 952

Chain	Residue
B	LYS56
B	ALA57
B	ALA60
B	ALA96
B	GLY97
B	ALA98
B	ASP99
B	ILE100
B	LYS101
B	LEU139
B	GLY140
B	GLY141
B	PRO163
B	LEU167
B	GLY172
B	HOH995
B	HOH1078
B	HOH1087
B	HOH1089
C	PHE279
C	LYS282

site_id	AC3
Number of Residues	26
Details	BINDING SITE FOR RESIDUE HXC C 953

Chain	Residue
A	PHE279
A	LYS282
C	LYS43
C	ASN44
C	ALA57
C	LEU58
C	ALA60
C	LYS92
C	ALA96
C	GLY97
C	ALA98
C	ASP99
C	ILE100
C	LYS101
C	LEU139
C	GLY140
C	GLY141
C	PRO163
C	GLU164
C	LEU167
C	GLY172
C	HOH986
C	HOH994
C	HOH1018
C	HOH1041
C	HOH1076

site_id	AC4
Number of Residues	28
Details	BINDING SITE FOR RESIDUE HXC E 954

Chain	Residue
F	LYS282
F	HOH991
A	HOH1048
B	LYS282
E	LYS56
E	ALA57
E	LEU58
E	ALA60
E	LYS92
E	ALA96
E	GLY97
E	ALA98
E	ASP99
E	ILE100
E	LYS101
E	LEU117
E	LEU139
E	GLY141
E	PRO163
E	LEU167
E	GLY172
E	ARG197
E	HOH987
E	HOH992
E	HOH1001
E	HOH1015
E	HOH1102
F	PHE279

site_id	AC5
Number of Residues	20
Details	BINDING SITE FOR RESIDUE HXC F 955

Chain	Residue
D	PHE279
D	LYS282
F	LYS56
F	ALA57
F	ALA60
F	ALA96
F	GLY97
F	ALA98
F	ASP99
F	ILE100
F	LYS101
F	MET103
F	LEU117
F	GLY140
F	GLY141
F	PRO163
F	LEU167
F	ARG197
F	HOH1083
F	HOH1095

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	12
Details	BINDING:

Chain	Residue	Details
A	ALA98
E	GLY141
F	ALA98
F	GLY141
A	GLY141
B	ALA98
B	GLY141
C	ALA98
C	GLY141
D	ALA98
D	GLY141
E	ALA98

site_id	SWS_FT_FI2
Number of Residues	6
Details	SITE: Important for catalytic activity

Chain	Residue	Details
A	GLU164
B	GLU164
C	GLU164
D	GLU164
E	GLU164
F	GLU164

site_id	SWS_FT_FI3
Number of Residues	12
Details	MOD_RES: N6-succinyllysine; alternate => ECO:0000250\|UniProtKB:Q8BH95

Chain	Residue	Details
A	LYS101
E	LYS115
F	LYS101
F	LYS115
A	LYS115
B	LYS101
B	LYS115
C	LYS101
C	LYS115
D	LYS101
D	LYS115
E	LYS101

site_id	SWS_FT_FI4
Number of Residues	6
Details	MOD_RES: N6-succinyllysine => ECO:0000250\|UniProtKB:Q8BH95

Chain	Residue	Details
A	LYS204
B	LYS204
C	LYS204
D	LYS204
E	LYS204
F	LYS204

site_id	SWS_FT_FI5
Number of Residues	6
Details	MOD_RES: N6-acetyllysine => ECO:0000250\|UniProtKB:Q8BH95

Chain	Residue	Details
A	LYS211
B	LYS211
C	LYS211
D	LYS211
E	LYS211
F	LYS211

Catalytic Information from CSA

site_id	CSA1
Number of Residues	4
Details	Annotated By Reference To The Literature 1dub

Chain	Residue	Details
A	ALA98
A	GLU164
A	GLY141
A	GLU144

site_id	CSA10
Number of Residues	2
Details	Annotated By Reference To The Literature 1dub

Chain	Residue	Details
D	GLY172
D	GLU164

site_id	CSA11
Number of Residues	2
Details	Annotated By Reference To The Literature 1dub

Chain	Residue	Details
E	GLY172
E	GLU164

site_id	CSA12
Number of Residues	2
Details	Annotated By Reference To The Literature 1dub

Chain	Residue	Details
F	GLY172
F	GLU164

site_id	CSA13
Number of Residues	3
Details	Annotated By Reference To The Literature 1dub

Chain	Residue	Details
A	GLU164
A	GLY141
A	GLU144

site_id	CSA14
Number of Residues	3
Details	Annotated By Reference To The Literature 1dub

Chain	Residue	Details
B	GLU164
B	GLY141
B	GLU144

site_id	CSA15
Number of Residues	3
Details	Annotated By Reference To The Literature 1dub

Chain	Residue	Details
C	GLU164
C	GLY141
C	GLU144

site_id	CSA16
Number of Residues	3
Details	Annotated By Reference To The Literature 1dub

Chain	Residue	Details
D	GLU164
D	GLY141
D	GLU144

site_id	CSA17
Number of Residues	3
Details	Annotated By Reference To The Literature 1dub

Chain	Residue	Details
E	GLU164
E	GLY141
E	GLU144

site_id	CSA18
Number of Residues	3
Details	Annotated By Reference To The Literature 1dub

Chain	Residue	Details
F	GLU164
F	GLY141
F	GLU144

site_id	CSA2
Number of Residues	4
Details	Annotated By Reference To The Literature 1dub

Chain	Residue	Details
B	ALA98
B	GLU164
B	GLY141
B	GLU144

site_id	CSA3
Number of Residues	4
Details	Annotated By Reference To The Literature 1dub

Chain	Residue	Details
C	ALA98
C	GLU164
C	GLY141
C	GLU144

site_id	CSA4
Number of Residues	4
Details	Annotated By Reference To The Literature 1dub

Chain	Residue	Details
D	ALA98
D	GLU164
D	GLY141
D	GLU144

site_id	CSA5
Number of Residues	4
Details	Annotated By Reference To The Literature 1dub

Chain	Residue	Details
E	ALA98
E	GLU164
E	GLY141
E	GLU144

site_id	CSA6
Number of Residues	4
Details	Annotated By Reference To The Literature 1dub

Chain	Residue	Details
F	ALA98
F	GLU164
F	GLY141
F	GLU144

site_id	CSA7
Number of Residues	2
Details	Annotated By Reference To The Literature 1dub

Chain	Residue	Details
A	GLY172
A	GLU164

site_id	CSA8
Number of Residues	2
Details	Annotated By Reference To The Literature 1dub

Chain	Residue	Details
B	GLY172
B	GLU164

site_id	CSA9
Number of Residues	2
Details	Annotated By Reference To The Literature 1dub

Chain	Residue	Details
C	GLY172
C	GLU164

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)