Structure of PDB 6xrv Chain E Binding Site BS03

Receptor Information
>6xrv Chain E (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 IDLTV
InChIInChI=1S/C46H90O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-41-46(49)51-43-44(47)42-50-45(48)40-38-36-34-32-30-28-26-18-16-14-12-10-8-6-4-2/h44,47H,3-43H2,1-2H3/t44-/m0/s1
InChIKeyXHUXLZVWHLYNKB-SJARJILFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCC)O
CACTVS 3.385CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COC(=O)CCCCCCCCCCCCCCCCC
ACDLabs 12.01O=C(OCC(O)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCC
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)O
CACTVS 3.385CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[CH](O)COC(=O)CCCCCCCCCCCCCCCCC
FormulaC46 H90 O5
Name2-hydroxy-3-(octadecanoyloxy)propyl pentacosanoate
ChEMBL
DrugBank
ZINC
PDB chain6xrv Chain E Residue 304 [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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PDB6xrv The crystal Structures of Thermomyces (Humicola) lanuginosa lipase in complex with enzymatic reactants
Resolution1.43 Å
Binding residue
(original residue number in PDB)		W89 V203 R205 L206 P208 P253
Binding residue
(residue number reindexed from 1)		W89 V203 R205 L206 P208 P253
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:6xrv, PDBe:6xrv, PDBj:6xrv
PDBsum6xrv
PubMed
UniProtO59952|LIP_THELA Lipase (Gene Name=LIP)

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