Structure of PDB 1k8q Chain B Binding Site BS01

Receptor Information
>1k8q Chain B (length=377) Species: 9615 (Canis lupus familiaris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AFGKLHPTNPEVTMNISQMITYWGYPAEEYEVVTEDGYILGIDRIPYGRK
NSENIGRRPVAFLQHGLLASATNWISNLPNNSLAFILADAGYDVWLGNSR
GNTWARRNLYYSPDSVEFWAFSFDEMAKYDLPATIDFILKKTGQDKLHYV
GHSQGTTIGFIAFSTNPKLAKRIKTFYALAPVATVKYTETLINKLMLVPS
FLFKLIFGNKIFYPHHFFDQFLATEVCSRETVDLLCSNALFIICGFDTMN
LNMSRLDVYLSHNPAGTSVQNVLHWSQAVKSGKFQAFDWGSPVQNMMHYH
QSMPPYYNLTDMHVPIAVWNGGNDLLADPHDVDLLLSKLPNLIYHRKIPP
YNHLDFIWAMDAPQAVYNEIVSMMGTD
Ligand information
Ligand IDC11
InChIInChI=1S/C15H33O2P/c1-3-5-7-8-9-10-11-12-13-15-18(16)17-14-6-4-2/h18H,3-15H2,1-2H3
InChIKeyQCBLJDSWVGAXQB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CCCCCCCCCCC[PH](=O)OCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCP(=O)OCCCC
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCCCCC[P@H](=O)OCCCC
ACDLabs 10.04O=P(OCCCC)CCCCCCCCCCC
FormulaC15 H33 O2 P
NameUNDECYL-PHOSPHINIC ACID BUTYL ESTER
ChEMBL
DrugBankDB02457
ZINCZINC000014880356
PDB chain1k8q Chain B Residue 2001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1k8q Crystal structure of the open form of dog gastric lipase in complex with a phosphonate inhibitor.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		G66 L67 S153 Q154 I192 M196 W275 L326 H353
Binding residue
(residue number reindexed from 1)		G66 L67 S153 Q154 I192 M196 W275 L326 H353
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.1.3: triacylglycerol lipase.
Gene Ontology
Molecular Function
GO:0004806 triacylglycerol lipase activity
GO:0016787 hydrolase activity
GO:0016788 hydrolase activity, acting on ester bonds
Biological Process
GO:0016042 lipid catabolic process
Cellular Component
GO:0005576 extracellular region
GO:0043231 intracellular membrane-bounded organelle

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1k8q, PDBe:1k8q, PDBj:1k8q
PDBsum1k8q
PubMed11689574
UniProtP80035|LIPF_CANLF Gastric triacylglycerol lipase (Gene Name=LIPF)

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