Structure of PDB 1dub Chain B

Receptor sequence
>1dubB (length=259) Species: 10116 (Rattus norvegicus) [Search protein sequence]
NFQYIITEKKGKNSSVGLIQLNRPKALNALCNGLIEELNQALETFEEDPA
VGAIVLTGGEKAFAAGADIKEMQNRTFQDCYSGKFLSHWDHITRIKKPVI
AAVNGYALGGGCELAMMCDIIYAGEKAQFGQPEILLGTIPGAGGTQRLTR
AVGKSLAMEMVLTGDRISAQDAKQAGLVSKIFPVETLVEEAIQCAEKIAN
NSKIIVAMAKESVNAAFEMTLTEGNKLEKKLFYSTFATDDRREGMSAFVE
KRKANFKDH
3D structure
PDB1dub Crystal structure of enoyl-coenzyme A (CoA) hydratase at 2.5 angstroms resolution: a spiral fold defines the CoA-binding pocket.
ChainB
Resolution2.5 Å
3D
structure
Catalytic site residues are labeled in the structure
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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) A67 M72 S82 L86 G110 E113 P132 E133 T138 P140 G141 K226 F236
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 B F279 K282 F248 K251 MOAD: Ki=1.6uM
PDBbind-CN: -logKd/Ki=5.80,Ki=1.6uM
BS02 CAA B K56 A57 L58 A60 A96 A98 D99 I100 M103 G140 G141 E144 P163 E164 L167 G172 K25 A26 L27 A29 A65 A67 D68 I69 M72 G109 G110 E113 P132 E133 L136 G141 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

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

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