Structure of PDB 6xs3 Chain D Binding Site BS01

Receptor Information
>6xs3 Chain D (length=269) Species: 5541 (Thermomyces lanuginosus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVSQDLFNQFNLFAQYSAAAYCGKNNDAPAGTNITCTGNACPEVEKADAT
FLYSFEDSGVGDVTGFLALDNTNKLIVLSFRGSRSIENWIGNLNFDLKEI
NDICSGCRGHDGFTSSWRSVADTLRQKVEDAVREHPDYRVVFTGHSLGGA
LATVAGADLRGNGYDIDVFSYGAPRVGNRAFAEFLTVQTGGTLYRITHTN
DIVPRLPPREFGYSHSSPEYWIKSGTLVPVTRNDIVKIEGIDATGGNNQP
NIPDIPAHLWYFGLIGTCL
Ligand information
Ligand IDOCA
InChIInChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
InChIKeyWWZKQHOCKIZLMA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)CCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCC(=O)O
CACTVS 3.341CCCCCCCC(O)=O
FormulaC8 H16 O2
NameOCTANOIC ACID (CAPRYLIC ACID)
ChEMBLCHEMBL324846
DrugBankDB04519
ZINCZINC000001530416
PDB chain6xs3 Chain D Residue 301 [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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PDB6xs3 The crystal Structures of Thermomyces (Humicola) lanuginosa lipase in complex with enzymatic reactants
Resolution2.48 Å
Binding residue
(original residue number in PDB)		Y21 S83 S146 H258 G266
Binding residue
(residue number reindexed from 1)		Y21 S83 S146 H258 G266
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.1.3: triacylglycerol lipase.
Gene Ontology
Biological Process
GO:0006629 lipid metabolic process
GO:0016042 lipid catabolic process

View graph for
Biological Process
External links
PDB RCSB:6xs3, PDBe:6xs3, PDBj:6xs3
PDBsum6xs3
PubMed
UniProtO59952|LIP_THELA Lipase (Gene Name=LIP)

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