Structure of PDB 1tf8 Chain A Binding Site BS05

Receptor Information
>1tf8 Chain A (length=273) Species: 1911 (Streptomyces griseus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APDIPLANVKAHLTQLSTIAANNGGNRAHGRPGYKASVDYVKAKLDAAGY
TTTLQQFTSGGATGYNLIANWPGGDPNKVLMAGAHLDSVSSGAGINDNGS
GSAAVLETALAVSRAGYQPDKHLRFAWWGAEELGLIGSKFYVNNLPSADR
SKLAGYLNFDMIGSPNPGYFVYDDDPVIEKTFKNYFAGLNVPTEIETRSD
HAPFKNVGVPVGGLFTGAGYTKSAAQAQKWGGTAGQAFDRCYHSSCDSLS
NINDTALDRNSDAAAHAIWTLSS
Ligand information
Ligand IDTRP
InChIInChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
InChIKeyQIVBCDIJIAJPQS-VIFPVBQESA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)Cc2c1ccccc1nc2
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N
CACTVS 3.341N[CH](Cc1c[nH]c2ccccc12)C(O)=O
CACTVS 3.341N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
FormulaC11 H12 N2 O2
NameTRYPTOPHAN
ChEMBLCHEMBL54976
DrugBankDB00150
ZINCZINC000000083315
PDB chain1tf8 Chain A Residue 913 [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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PDB1tf8 Binding of inhibitory aromatic amino acids to Streptomyces griseus aminopeptidase.
Resolution1.3 Å
Binding residue
(original residue number in PDB)		H85 D97 E131 E132 D160 E196 S203 F219 Y246 H247
Binding residue
(residue number reindexed from 1)		H85 D97 E131 E132 D160 E196 S199 F215 Y242 H243
Annotation score4
Binding affinityMOAD: Ki=5.44mM
Enzymatic activity
Catalytic site (original residue number in PDB) N77 D97 E131 E132 D160
Catalytic site (residue number reindexed from 1) N77 D97 E131 E132 D160
Enzyme Commision number 3.4.11.24: aminopeptidase S.
Gene Ontology
Molecular Function
GO:0004177 aminopeptidase activity
GO:0008235 metalloexopeptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:1tf8, PDBe:1tf8, PDBj:1tf8
PDBsum1tf8
PubMed15388919
UniProtP80561|APX_STRGG Aminopeptidase S (Gene Name=SGR_5809)

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