Structure of PDB 1tkf Chain A Binding Site BS04

Receptor Information
>1tkf 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
SKLAGYLNFDMIGSPNPGYFVYDDDPVIEKTFKNYFAGLNVPTEIEGRSD
HAPFKNVGVPVGGLFTGAGYTKSAAQAQKWGGTAGQAFDRCYHSSCDSLS
NINDTALDRNSDAAAHAIWTLSS
Ligand information
Ligand IDDTR
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-/m1/s1
InChIKeyQIVBCDIJIAJPQS-SECBINFHSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)Cc2c1ccccc1nc2
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
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)O)N
FormulaC11 H12 N2 O2
NameD-TRYPTOPHAN
ChEMBLCHEMBL292303
DrugBankDB03225
ZINCZINC000000083317
PDB chain1tkf 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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PDB1tkf Interactions of D Amino Acids with Streptomyces griseus Aminopeptidase
Resolution1.2 Å
Binding residue
(original residue number in PDB)		D97 E132 D160 E196 R202 S203 F219 Y246 H247
Binding residue
(residue number reindexed from 1)		D97 E132 D160 E196 R198 S199 F215 Y242 H243
Annotation score1
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:1tkf, PDBe:1tkf, PDBj:1tkf
PDBsum1tkf
PubMed
UniProtP80561|APX_STRGG Aminopeptidase S (Gene Name=SGR_5809)

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