Structure of PDB 8am6 Chain AAA Binding Site BS05

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 605 [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)		S353 Y415 L495 F496 G498
Binding residue
(residue number reindexed from 1)		S302 Y364 L444 F445 G447
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links