Structure of PDB 8am6 Chain BaB Binding Site BS05

Receptor Information
>8am6 Chain BaB (length=535) Species: 596154 (Alicycliphilus denitrificans K601) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SFSAEYDIVVVGSGCAGLTSALFSRWHGNSVVVLEKAAALGGTTFKSAFW
YWVPNNVPMRAAGIADPKPDFLKYVARVTRPQFYDPEHPTLGLTQWEYDM
CEAIYDSASPAAELLAQKGALPYRHVPFATDFFSELPEDKAKSGRVLTPK
DGSPSMANGGQVAIRTLSTAARRDGIAFKTGHRVQRVILNSKGEAIGIEA
LKDDNSVVRIRARKAVIFGSGGFTHDPELRSNFLNVPVYGGCAAFTNEGD
LVRITSSLGVQLRNMNHAWLCPVTFEKAIGRDGSMSGMFSVAGDSMIFVD
KRGKRVVNEKLNYNELCQKLFEWDGAKVEYPNLVLISIWDQRSQDHSASN
DYGSAIVPPGADDRHVIKSDTLDGLSQQISLRLKKYAGQIGHMELSSDFN
ANLRESILRFNGFASTGKDEDFHRGERASDVLFNGSTKKEPDQKNPTMWP
ISSVGPYYAALVGGGTLDTKGGPKTNTHGQILDIHDKPIRGLYGVGNCVA
SASSGAYWAGGATLGPMIAFAYRAANAAHGEPKRT
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 BaB Residue 605 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		S290 Y352 L432 F433 G435
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links