Structure of PDB 3ee6 Chain A Binding Site BS05

Receptor Information
>3ee6 Chain A (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 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 chain3ee6 Chain A Residue 581 [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)		D517 V518 G539 G541 D543
Binding residue
(residue number reindexed from 1)		D482 V483 G504 G506 D508
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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