Structure of PDB 1tf9 Chain A Binding Site BS04

Receptor Information
>1tf9 Chain A (length=275) Species: 1911 (Streptomyces griseus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APDIPLANVKAHLTQLSTIAANNGGNRAHGRPGYKASVDYVKAKLDAAGY
TTTLQQFTSGGATGYNLIANWPGGDPNKVLMAGAHLDSVSSGAGINDNGS
GSAAVLETALAVSRAGYQPDKHLRFAWWGAEELGLIGSKFYVNNLPSADR
SKLAGYLNFDMIGSPNPGYFVYDDDPVIEKTFKNYFAGLNVPTEIETEGR
SDHAPFKNVGVPVGGLFTGAGYTKSAAQAQKWGGTAGQAFDRCYHSSCDS
LSNINDTALDRNSDAAAHAIWTLSS
Ligand information
Ligand IDPHI
InChIInChI=1S/C9H10INO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
InChIKeyPZNQZSRPDOEBMS-QMMMGPOBSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](Cc1ccc(I)cc1)C(O)=O
CACTVS 3.341N[C@@H](Cc1ccc(I)cc1)C(O)=O
OpenEye OEToolkits 1.5.0c1cc(ccc1CC(C(=O)O)N)I
OpenEye OEToolkits 1.5.0c1cc(ccc1C[C@@H](C(=O)O)N)I
ACDLabs 10.04Ic1ccc(cc1)CC(C(=O)O)N
FormulaC9 H10 I N O2
NameIODO-PHENYLALANINE
ChEMBL
DrugBankDB03660
ZINCZINC000000391104
PDB chain1tf9 Chain A Residue 913 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1tf9 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 Y172 E196 G199 R202 F219 Y246 H247
Binding residue
(residue number reindexed from 1)		H85 D97 E131 E132 D160 Y172 E196 G199 R200 F217 Y244 H245
Annotation score1
Binding affinityMOAD: Ki=0.92mM
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

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:1tf9, PDBe:1tf9, PDBj:1tf9
PDBsum1tf9
PubMed15388919
UniProtP80561|APX_STRGG Aminopeptidase S (Gene Name=SGR_5809)

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