Structure of PDB 1dub Chain A

Receptor sequence
>1dubA (length=260) Species: 10116 (Rattus norvegicus) [Search protein sequence]
ANFQYIITEKKGKNSSVGLIQLNRPKALNALCNGLIEELNQALETFEEDP
AVGAIVLTGGEKAFAAGADIKEMQNRTFQDCYSGKFLSHWDHITRIKKPV
IAAVNGYALGGGCELAMMCDIIYAGEKAQFGQPEILLGTIPGAGGTQRLT
RAVGKSLAMEMVLTGDRISAQDAKQAGLVSKIFPVETLVEEAIQCAEKIA
NNSKIIVAMAKESVNAAFEMTLTEGNKLEKKLFYSTFATDDRREGMSAFV
EKRKANFKDH
3D structure
PDB1dub Crystal structure of enoyl-coenzyme A (CoA) hydratase at 2.5 angstroms resolution: a spiral fold defines the CoA-binding pocket.
ChainA
Resolution2.5 Å
3D
structure
Catalytic site residues are labeled in the structure
[Spin on]
[Spin off]
[Reset orientation]

[High quality]
[Low quality]

[White background]
[Black background]

[Download]
[Download structure with residue number starting from 1]
Enzymatic activity
Catalytic site (original residue number in PDB) A98 M103 S113 L117 G141 E144 P163 E164 T169 P171 G172 K257 F267
Catalytic site (residue number reindexed from 1) A68 M73 S83 L87 G111 E114 P133 E134 T139 P141 G142 K227 F237
Enzyme Commision number 4.2.1.17: enoyl-CoA hydratase.
5.3.3.8: Delta(3)-Delta(2)-enoyl-CoA isomerase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 CAA A K56 A57 L58 A60 A96 A98 D99 I100 Y137 G140 G141 E144 P163 E164 L167 G172 K26 A27 L28 A30 A66 A68 D69 I70 Y107 G110 G111 E114 P133 E134 L137 G142 MOAD: Ki=1.6uM
PDBbind-CN: -logKd/Ki=5.80,Ki=1.6uM
BS02 CAA A F263 F279 F233 F249 MOAD: Ki=1.6uM
PDBbind-CN: -logKd/Ki=5.80,Ki=1.6uM
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004165 delta(3)-delta(2)-enoyl-CoA isomerase activity
GO:0004300 enoyl-CoA hydratase activity
GO:0016829 lyase activity
GO:0016836 hydro-lyase activity
GO:0016853 isomerase activity
GO:0043956 3-hydroxypropionyl-CoA dehydratase activity
GO:0120092 crotonyl-CoA hydratase activity
Biological Process
GO:0006631 fatty acid metabolic process
GO:0006635 fatty acid beta-oxidation
Cellular Component
GO:0005739 mitochondrion
GO:0005759 mitochondrial matrix

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1dub, PDBe:1dub, PDBj:1dub
PDBsum1dub
PubMed8895557
UniProtP14604|ECHM_RAT Enoyl-CoA hydratase, mitochondrial (Gene Name=Echs1)

[Back to BioLiP]