Structure of PDB 3edy Chain A Binding Site BS01

Receptor Information
>3edy Chain A (length=544) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SYSPEPDQRRTLPPGWVSLGRADPEEELSLTFALRQQNVERLSELVQAVS
DPSSPQYGKYLTLENVADLVRPSPLTLHTVQKWLLAAGAQKCHSVITQDF
LTCWLSIRQAELLLPGAEFHHYVGGPTETHVVRSPHPYQLPQALAPHVDF
VGGLHRFPPTSSLRQRPEPQVTGTVGLHLGVTPSVIRKRYNLTSQDVGSG
TSNNSQACAQFLEQYFHDSDLAQFMRLFGGNFAHQASVARVVGQQGRGRA
GIEASLDVQYLMSAGANISTWVYSSPGRHEGQEPFLQWLMLLSNESALPH
VHTVSYGDDEDSLSSAYIQRVNTELMKAAARGLTLLFASGDSGAGCWSVS
GRHQFRPTFPASSPYVTTVGGTSFQEPFLITNEIVDYISGGGFSNVFPRP
SYQEEAVTKFLSSSPHLPPSSYFNASGRAYPDVAALSDGYWVVSNRVPIP
WVSGTSASTPVFGGILSLINEHRILSGRPPLGFLNPRLYQQHGAGLFDVT
RGCHESCLDEEVEGQGFCSGPGWDPVTGWGTPNFPALLKTLLNP
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 chain3edy Chain A Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3edy Crystal Structure and Autoactivation Pathway of the Precursor Form of Human Tripeptidyl-peptidase 1, the Enzyme Deficient in Late Infantile Ceroid Lipofuscinosis
Resolution1.85 Å
Binding residue
(original residue number in PDB)		D517 V518 G539 G541 D543
Binding residue
(residue number reindexed from 1)		D498 V499 G520 G522 D524
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.14.9: tripeptidyl-peptidase I.
Gene Ontology
Molecular Function
GO:0004175 endopeptidase activity
GO:0004252 serine-type endopeptidase activity
GO:0005515 protein binding
GO:0008233 peptidase activity
GO:0008236 serine-type peptidase activity
GO:0008240 tripeptidyl-peptidase activity
GO:0035727 lysophosphatidic acid binding
GO:0042277 peptide binding
GO:0046872 metal ion binding
GO:0120146 sulfatide binding
Biological Process
GO:0006508 proteolysis
GO:0006629 lipid metabolic process
GO:0007040 lysosome organization
GO:0007399 nervous system development
GO:0007417 central nervous system development
GO:0030163 protein catabolic process
GO:0030855 epithelial cell differentiation
GO:0043171 peptide catabolic process
GO:0045453 bone resorption
GO:0050885 neuromuscular process controlling balance
GO:0070198 protein localization to chromosome, telomeric region
GO:1905146 lysosomal protein catabolic process
Cellular Component
GO:0005764 lysosome
GO:0005794 Golgi apparatus
GO:0042470 melanosome
GO:0043202 lysosomal lumen
GO:0045121 membrane raft
GO:0055037 recycling endosome
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3edy, PDBe:3edy, PDBj:3edy
PDBsum3edy
PubMed19038967
UniProtO14773|TPP1_HUMAN Tripeptidyl-peptidase 1 (Gene Name=TPP1)

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