Brand  (β version)

PDB ID: 2DUB

Hetero Atom Contents

  The number of atoms exceeds 100,000.
  So, it can not be displayed here.

Select unit:

Select hetatm:   

close
information
centroid:
interaction residue:

Select chain:   Sequence  

Data format:   

Color scheme of protein:

Ligands
Code Name Style Show Link
CO8 Octanoyl-coenzyme a PoSSuM
Non-standard Residues
Code Name Show
Glycosylation
Code Name Emphasize
Modification
Code Name Show

Structure summary

Code : 2DUB   PDBj   RCSB PDB   PDBe
Header : LYASE
Title : ENOYL-COA HYDRATASE COMPLEXED WITH OCTANOYL-COA
Release Data : 1998-04-29
Compound :
mol_id molecule chains synonym
1 2-ENOYL-COA HYDRATASE A,B,C,D,E,F CROTONASE, ENOYL-COA HYDRATASE 1
ec: 4.2.1.17
other_details: COCRYSTALLIZED WITH OCTANOYL-COA
Source :
mol_id organism_scientific organism_common
1 Rattus norvegicus  (taxid:10116) Norway rat
organ: LIVER
cellular_location: MITOCHONDRIA
Authors : Engel, C.K., Wierenga, R.K.
Keywords : LYASE, HYDRATASE, B-OXIDATION, FATTY ACID DEGRADATION, COA, LIGAND BINDING
Exp. method : X-RAY DIFFRACTION ( 2.4 Å )
Citation :

The crystal structure of enoyl-CoA hydratase complexed with octanoyl-CoA reveals the structural adaptations required for binding of a long chain fatty acid-CoA molecule.

Engel, C.K.,Kiema, T.R.,Hiltunen, J.K.  et al.
(1998)  J.Mol.Biol.  275 : 847 - 859

PubMed: 9480773
DOI: 10.1006/jmbi.1997.1491

Crystal Structure of Enoyl-Coenzyme a (Coa) Hydratase at 2.5 Angstroms Resolution: A Spiral Fold Defines the Coa-Binding Pocket

Engel, C.K.,Mathieu, M.,Zeelen, J.P.  et al.
(1996)  Embo J.  15 : 5135

Reaction

Chain : A, B, C, D, E, F
UniProt : P14604 (ECHM_RAT)
Reaction: EC: Evidence:
Physiological Direction:
a (3S)-3-hydroxyacyl-CoA = a (2E)-enoyl-CoA + H2O 4.2.1.17 PubMed:10074351, PubMed:7883013
right-to-left
a (3E)-enoyl-CoA = a 4-saturated (2E)-enoyl-CoA 5.3.3.8 PubMed:10074351
left-to-right
(3E)-hexenoyl-CoA = (2E)-hexenoyl-CoA - PubMed:10074351
left-to-right
(3S)-3-hydroxybutanoyl-CoA = (2E)-butenoyl-CoA + H2O - PubMed:7883013
right-to-left
3-hydroxyisovaleryl-CoA = 3-methyl-(2E)-butenoyl-CoA + H2O - UniProtKB:P30084
right-to-left
3-hydroxypropanoyl-CoA = acryloyl-CoA + H2O - UniProtKB:P30084
right-to-left
3-hydroxybutanoyl-CoA = (2E)-butenoyl-CoA + H2O - UniProtKB:P30084
right-to-left
(2E)-2-methylpropenoyl-CoA + H2O = (S)-3-hydroxyisobutanoyl- CoA - UniProtKB:P30084
left-to-right
(3S)-hydroxyhexanoyl-CoA = (2E)-hexenoyl-CoA + H2O - PubMed:10074351
right-to-left
(3S)-hydroxydecanoyl-CoA = (2E)-decenoyl-CoA + H2O - PubMed:10074351
right-to-left