Structure of PDB 8am6 Chain AAA Binding Site BS02

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 602 [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)		W113 F352 Y376 Y570 G573
Binding residue
(residue number reindexed from 1)		W62 F301 Y325 Y519 G522
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links