Structure of PDB 1rp1 Chain A Binding Site BS01

Receptor Information
>1rp1 Chain A (length=441) Species: 9615 (Canis lupus familiaris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KEVCYEQIGCFSDAEPWAGTAIRPLKVLPWSPERIGTRFLLYTNKNPNNF
QTLLPSDPSTIGASNFQTDKKTRFIIHGFIDKGEENWLLDMCKNMFKVEE
VNCICVDWKKGSQTSYTQAANNVRVVGAQVAQMLSMLSANYSYSPSQVQL
IGHSLGAHVAGEAGSRTPGLGRITGLDPVEASFQGTPEEVRLDPTDADFV
DVIHTDAAPLIPFLGFGTSQQMGHLDFFPNGGEEMPGCKKNALSQIVDLD
GIWEGTRDFVACNHLRSYKYYSESILNPDGFASYPCASYRAFESNKCFPC
PDQGCPQMGHYADKFAQKYFLNTGDSSNFARWRYGVSITLSGKRATGQAK
VALFGSKGNTHQFNIFKGILKPGSTHSNEFDAKLDVGTIEKVKFLWNNNN
PTFPKVGAAKITVQKGEEKTVHSFCSESTVREDVLLTLTPC
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 chain1rp1 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1rp1 Reactivation of the totally inactive pancreatic lipase RP1 by structure-predicted point mutations.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		E187 R190 D192 D195
Binding residue
(residue number reindexed from 1)		E188 R191 D193 D196
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) F77 S152 L153 D176 H263
Catalytic site (residue number reindexed from 1) F79 S154 L155 D177 H264
Enzyme Commision number 3.1.1.3: triacylglycerol lipase.
Gene Ontology
Molecular Function
GO:0004806 triacylglycerol lipase activity
GO:0005509 calcium ion binding
GO:0016298 lipase activity
GO:0046872 metal ion binding
GO:0052689 carboxylic ester hydrolase activity
Biological Process
GO:0006629 lipid metabolic process
GO:0016042 lipid catabolic process
Cellular Component
GO:0005576 extracellular region

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Cellular Component
External links
PDB RCSB:1rp1, PDBe:1rp1, PDBj:1rp1
PDBsum1rp1
PubMed9726421
UniProtP06857|LIPR1_CANLF Inactive pancreatic lipase-related protein 1 (Gene Name=PNLIPRP1)

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