Structure of PDB 1f2p Chain A Binding Site BS04

Receptor Information
>1f2p Chain A (length=274) Species: 1911 (Streptomyces griseus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APDIPLANVKAHLTQLSTIAANNGGNRAHGRPGYKASVDYVKAKLDAAGY
TTTLQQFTSGGATGYNLIANWPGGDPNKVLMAGAHLDSVSSGAGINDNGS
GSAAVLETALAVSRAGYQPDKHLRFAWWGAEELGLIGSKFYVNNLPSADR
SKLAGYLNFDMIGSPNPGYFVYDDDPVIEKTFKNYFAGLNVPTEIETERS
DHAPFKNVGVPVGGLFTGAGYTKSAAQAQKWGGTAGQAFDRCYHSSCDSL
SNINDTALDRNSDAAAHAIWTLSS
Ligand information
Ligand IDPHE
InChIInChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
InChIKeyCOLNVLDHVKWLRT-QMMMGPOBSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](Cc1ccccc1)C(O)=O
CACTVS 3.341N[C@@H](Cc1ccccc1)C(O)=O
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC(C(=O)O)N
OpenEye OEToolkits 1.5.0c1ccc(cc1)C[C@@H](C(=O)O)N
ACDLabs 10.04O=C(O)C(N)Cc1ccccc1
FormulaC9 H11 N O2
NamePHENYLALANINE
ChEMBLCHEMBL301523
DrugBankDB00120
ZINCZINC000000105196
PDB chain1f2p Chain A Residue 903 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1f2p Interactions of Streptomyces griseus aminopeptidase with amino acid reaction products and their implications toward a catalytic mechanism.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		E131 E132 D160 R202 F219 Y246
Binding residue
(residue number reindexed from 1)		E131 E132 D160 R199 F216 Y243
Annotation score4
Binding affinityMOAD: Ki=12.7mM
PDBbind-CN: -logKd/Ki=1.90,Ki=12.7mM
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:1f2p, PDBe:1f2p, PDBj:1f2p
PDBsum1f2p
PubMed11484227
UniProtP80561|APX_STRGG Aminopeptidase S (Gene Name=SGR_5809)

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