Structure of PDB 8am6 Chain AAA Binding Site BS03

Receptor Information
>8am6 Chain AAA (length=547) Species: 596154 (Alicycliphilus denitrificans K601) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VLTMTDAQAASASFSAEYDIVVVGSGCAGLTSALFSRWHGNSVVVLEKAA
ALGGTTFKSAFWYWVPNNVPMRAAGIADPKPDFLKYVARVTRPQFYDPEH
PTLGLTQWEYDMCEAIYDSASPAAELLAQKGALPYRHVPFATDFFSELPE
DKAKSGRVLTPKDGSPSMANGGQVAIRTLSTAARRDGIAFKTGHRVQRVI
LNSKGEAIGIEALKDDNSVVRIRARKAVIFGSGGFTHDPELRSNFLNVPV
YGGCAAFTNEGDLVRITSSLGVQLRNMNHAWLCPVTFEKAIGRDGSMSGM
FSVAGDSMIFVDKRGKRVVNEKLNYNELCQKLFEWDGAKVEYPNLVLISI
WDQRSQDHSASNDYGSAIVPPGADDRHVIKSDTLDGLSQQISLRLKKYAG
QIGHMELSSDFNANLRESILRFNGFASTGKDEDFHRGERASDVLFNGSTK
KEPDQKNPTMWPISSVGPYYAALVGGGTLDTKGGPKTNTHGQILDIHDKP
IRGLYGVGNCVASASSGAYWAGGATLGPMIAFAYRAANAAHGEPKRT
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 chain8am6 Chain AAA Residue 603 [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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PDB8am6 Rational design of cyclohexanone dehydrogenase for enhanced alpha, beta-desaturation and substrate specificity of cyclic ketones
Resolution1.33 Å
Binding residue
(original residue number in PDB)		E339 R427
Binding residue
(residue number reindexed from 1)		E288 R376
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links