Structure of PDB 6xs3 Chain B Binding Site BS02

Receptor Information
>6xs3 Chain B (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 IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain6xs3 Chain B Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		E45 A47
Binding residue
(residue number reindexed from 1)		E45 A47
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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