Structure of PDB 6osz Chain B Binding Site BS01
Receptor Information
>6osz Chain B (length=269) Species:
5541
(Thermomyces lanuginosus) [
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EVSQDLFNQFNLFAQYSAAAYCGKNNDAPAGTNITCTGNACPEVEKADAT
FLYSFEDSGVGDVTGFLALDNTNKLIVLSFRGSRSIENWIGNLNFDLKEI
NDICSGCRGHDGFTSSWRSVADTLRQKVEDAVREHPDYRVVFTGHSLGGA
LATVAGADLRGNGYDIDVFSYGAPRVGNRAFAEFLTVQTGGTLYRITHTN
DIVPRLPPREFGYSHSSPEYWIKSGTLVPVTRNDIVKIEGIDATGGNNQP
NIPDIPAHLWYFGLIGTCL
Ligand information
Ligand ID
OCA
InChI
InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
InChIKey
WWZKQHOCKIZLMA-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 10.04
O=C(O)CCCCCCC
OpenEye OEToolkits 1.5.0
CCCCCCCC(=O)O
CACTVS 3.341
CCCCCCCC(O)=O
Formula
C8 H16 O2
Name
OCTANOIC ACID (CAPRYLIC ACID)
ChEMBL
CHEMBL324846
DrugBank
DB04519
ZINC
ZINC000001530416
PDB chain
6osz Chain B Residue 301 [
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Receptor-Ligand Complex Structure
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PDB
6osz
The Crystal Structures of Thermomyces (Humicola) Lanuginosa Lipase in Complex with Enzymatic Reactants
Resolution
1.43 Å
Binding residue
(original residue number in PDB)
Y21 S83 W89 S146 L147 H258 L259 G266
Binding residue
(residue number reindexed from 1)
Y21 S83 W89 S146 L147 H258 L259 G266
Annotation score
1
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:6osz
,
PDBe:6osz
,
PDBj:6osz
PDBsum
6osz
PubMed
UniProt
O59952
|LIP_THELA Lipase (Gene Name=LIP)
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