Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

1EY3

STRUCTURE OF ENOYL-COA HYDRATASE COMPLEXED WITH THE SUBSTRATE DAC-COA

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003824	molecular_function	catalytic activity
B	0003824	molecular_function	catalytic activity
C	0003824	molecular_function	catalytic activity
D	0003824	molecular_function	catalytic activity
E	0003824	molecular_function	catalytic activity
F	0003824	molecular_function	catalytic activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	23
Details	BINDING SITE FOR RESIDUE DAK A 500

Chain	Residue
A	LYS56
A	LEU117
A	TRP120
A	TYR137
A	GLY141
A	PRO163
A	LEU167
A	GLY172
A	ARG197
A	HOH501
A	HOH542
A	ALA57
A	HOH545
A	HOH565
B	PHE263
B	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 DAK B 501

Chain	Residue
B	LYS56
B	ALA57
B	LEU58
B	ALA96
B	GLY97
B	ALA98
B	ASP99
B	ILE100
B	LYS101
B	LEU117
B	TRP120
B	GLY141
B	PRO163
B	LEU167
B	GLY172
B	HOH518
B	HOH554
B	HOH563
C	PHE263
C	PHE279
C	LYS282

site_id	AC3
Number of Residues	17
Details	BINDING SITE FOR RESIDUE DAK C 502

Chain	Residue
A	PHE263
C	LYS56
C	ALA57
C	LEU58
C	ALA60
C	ALA96
C	GLY97
C	ALA98
C	ASP99
C	ILE100
C	LEU117
C	TRP120
C	LEU139
C	GLY141
C	PRO163
C	LEU167
C	GLY172

site_id	AC4
Number of Residues	22
Details	BINDING SITE FOR RESIDUE DAK D 503

Chain	Residue
D	LYS56
D	ALA57
D	LEU58
D	ALA60
D	LYS92
D	ALA96
D	GLY97
D	ALA98
D	ASP99
D	ILE100
D	LYS101
D	LEU117
D	TRP120
D	GLY141
D	PRO163
D	LEU167
D	GLY172
D	HOH524
D	HOH571
E	LYS260
E	PHE263
E	LYS282

site_id	AC5
Number of Residues	20
Details	BINDING SITE FOR RESIDUE DAK E 504

Chain	Residue
E	HOH525
E	HOH541
F	PHE263
F	LYS282
E	LYS56
E	ALA57
E	LEU58
E	ALA60
E	ALA96
E	GLY97
E	ALA98
E	ASP99
E	ILE100
E	LYS101
E	LEU117
E	TRP120
E	GLY141
E	PRO163
E	LEU167
E	GLY172

site_id	AC6
Number of Residues	19
Details	BINDING SITE FOR RESIDUE DAK F 505

Chain	Residue
D	PHE263
F	LYS56
F	ALA57
F	LEU58
F	ALA60
F	ALA96
F	GLY97
F	ALA98
F	ASP99
F	ILE100
F	LEU117
F	TRP120
F	GLY141
F	PRO163
F	LEU167
F	GLY172
F	ARG197
F	HOH528
F	HOH553

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)
		EDMap 2fo-fc (MTZ)