Structure of PDB 3ee6 Chain B Binding Site BS02

Receptor Information
>3ee6 Chain B (length=529) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SYSPEPDQRRTLPPGWVSLGRADPEEELSLTFALRQQNVERLSELVQAVS
DPSSPQYGKYLTLENVADLVRPSPLTLHTVQKWLLAAGAQKCHSVITQDF
LTCWLSIRQAELLLPGAEFHHYVGGPTETHVVRSPHPYQLPQALAPHVDF
VGGLHRFPPTSHLGVTPSVIRKRYNLTSQDVGSGTSNNSQACAQFLEQYF
HDSDLAQFMRLFGGNFAHQASVARVVGQQGRGRAGIEASLDVQYLMSAGA
NISTWVYSSPGRHEGQEPFLQWLMLLSNESALPHVHTVSYGDDEDSLSSA
YIQRVNTELMKAAARGLTLLFASGDSGAGCWSVSGRHQFRPTFPASSPYV
TTVGGTSFQEPFLITNEIVDYISGGGFSNVFPRPSYQEEAVTKFLSSSPH
LPPSSYFNASGRAYPDVAALSDGYWVVSNRVPIPWVSGTSASTPVFGGIL
SLINEHRILSGRPPLGFLNPRLYQQHGAGLFDVTRGCHESCLDEEVEGQG
FCSGPGWDPVTGWGTPNFPALLKTLLNPR
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain3ee6 Chain B Residue 577 [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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PDB3ee6 Structure of tripeptidyl-peptidase I provides insight into the molecular basis of late infantile neuronal ceroid lipofuscinosis
Resolution2.35 Å
Binding residue
(original residue number in PDB)		H197 D457
Binding residue
(residue number reindexed from 1)		H162 D422
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.14.9: tripeptidyl-peptidase I.
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
GO:0008236 serine-type peptidase activity
Biological Process
GO:0006508 proteolysis

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3ee6, PDBe:3ee6, PDBj:3ee6
PDBsum3ee6
PubMed19038966
UniProtO14773|TPP1_HUMAN Tripeptidyl-peptidase 1 (Gene Name=TPP1)

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