Structure of PDB 8am8 Chain AAA Binding Site BS02

Receptor Information
>8am8 Chain AAA (length=536) Species: 596154 (Alicycliphilus denitrificans K601) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASFSAEYDIVVVGSGCAGLTSALFSRWHGNSVVVLEKAAALGGTTFKSAF
AYWVPNNVPMRAAGIADPKPDFLKYVARVTRPQFYDPEHPTLGLTQWEYD
MCEAIYDSASPAAELLAQKGALPYRHVPFATDYFSELPEDKAKSGRVLTP
KDGSPSMANGGQVAIRTLSTAARRDGIAFKTGHRVQRVILNSKGEAIGIE
ALKDDNSVVRIRARKAVIFGSGGFTHDPELRSNFLNVPVYGGCAAFTNEG
DLVRITSSLGVQLRNMNHAWLCPVTFEKAIGRDGSMSGMFSVAGDSMIFV
DKRGKRVVNEKLNYNELCQKLFEWDGAKVEYPNLVLISIWDQRSQDHSAS
NDYGSAIVPPGADDRHVIKSDTLDGLSQQISLRLKKYAGQIGHMELSSDF
NANLRESILRFNGFASTGKDEDFHRGERASDVLFNGSTKKEPDQKNPTMW
PISSVGPYYAALVGGGTLDTKGGPKTNTHGQILDIHDKPIRGLYGVGNCV
ASASSGAYWAGGATLGPMIAFAYRAANAAHGEPKRT
Ligand information
Ligand IDA2Q
InChIInChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2
InChIKeyFWFSEYBSWVRWGL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2C1CC=CC(=O)C1
CACTVS 3.385O=C1CCCC=C1
ACDLabs 12.01O=C1C=CCCC1
FormulaC6 H8 O
Namecyclohex-2-en-1-one;
cyclohex-2-enone
ChEMBLCHEMBL1439332
DrugBank
ZINCZINC000100004096
PDB chain8am8 Chain AAA Residue 606 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8am8 Rational design of cyclohexanone dehydrogenase for enhanced alpha, beta-desaturation and substrate specificity of cyclic ketones
Resolution1.85 Å
Binding residue
(original residue number in PDB)		F352 Y376 Y570 G573
Binding residue
(residue number reindexed from 1)		F290 Y314 Y508 G511
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links