Structure of PDB 4hxy Chain B Binding Site BS02

Receptor Information
>4hxy Chain B (length=430) Species: 244967 (Streptomyces sp. HK803) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ARTGWFSETWRQLGRAATADRVPGNWLLLGEVPPALGSLFDDPLTAASWD
RSTAPDGVLVGAGAAEDLLAALHEVAGHPTGPVWCVTSRAVGVGTVDDPA
ADVRAAGVWGLGRVAGLELPDRWGGLVDLPERIDDATRRALAGTLTDDGE
DQLAVRDGQLWARRLVTTPAPQTGTWTPKGTVLITGGTGGLGGHVARRVA
EQGSADRILLLSRQGSAAPGATELLEGIRAFGATAEAVAVDVTDRAAMSG
LIDALAAEGAPVRTVVHAAGVVRDVRIAETGAEELAAQMAAKVEGALLLD
ELLPDLDDFVLFSSISGIWGAAGQAGYAAGNACLDALARRRREQGKRAVS
VAWGPWAGGGMLTEHDERELRKRGLTPLLVPAALQAMEQAIMSDRAGDPV
VADVTWSRFLPAFTASRPSPLFGSFEEKAA
Ligand information
Ligand IDACA
InChIInChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)
InChIKeySLXKOJJOQWFEFD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)CCCCCN
OpenEye OEToolkits 1.5.0C(CCC(=O)O)CCN
CACTVS 3.341NCCCCCC(O)=O
FormulaC6 H13 N O2
Name6-AMINOHEXANOIC ACID;
AMINOCAPROIC ACID
ChEMBLCHEMBL1046
DrugBankDB00513
ZINCZINC000001529425
PDB chain4hxy Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4hxy Structural and Stereochemical Analysis of a Modular Polyketide Synthase Ketoreductase Domain Required for the Generation of a cis-Alkene.
Resolution1.68 Å
Binding residue
(original residue number in PDB)		V277 S319 Q329 Y332 M366 L367 D371
Binding residue
(residue number reindexed from 1)		V272 S314 Q324 Y327 M361 L362 D366
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links