Structure of PDB 1f2o Chain A Binding Site BS04

Receptor Information
>1f2o Chain A (length=277) Species: 1911 (Streptomyces griseus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APDIPLANVKAHLTQLSTIAANNGGNRAHGRPGYKASVDYVKAKLDAAGY
TTTLQQFTSGGATGYNLIANWPGGDPNKVLMAGAHLDSVSSGAGINDNGS
GSAAVLETALAVSRAGYQPDKHLRFAWWGAEELGLIGSKFYVNNLPSADR
SKLAGYLNFDMIGSPNPGYFVYDDDPVIEKTFKNYFAGLNVPTEIETEGD
GRSDHAPFKNVGVPVGGLFTGAGYTKSAAQAQKWGGTAGQAFDRCYHSSC
DSLSNINDTALDRNSDAAAHAIWTLSS
Ligand information
Ligand IDLEU
InChIInChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
InChIKeyROHFNLRQFUQHCH-YFKPBYRVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)C[C@@H](C(=O)O)N
CACTVS 3.341CC(C)C[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CC(C)CC(C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CC(C)C
CACTVS 3.341CC(C)C[CH](N)C(O)=O
FormulaC6 H13 N O2
NameLEUCINE
ChEMBLCHEMBL291962
DrugBankDB00149
ZINCZINC000003645145
PDB chain1f2o 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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PDB1f2o Interactions of Streptomyces griseus aminopeptidase with amino acid reaction products and their implications toward a catalytic mechanism.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		D97 E131 E132 D160 R202 Y246 H247
Binding residue
(residue number reindexed from 1)		D97 E131 E132 D160 R202 Y246 H247
Annotation score4
Binding affinityMOAD: Ki=12.4mM
PDBbind-CN: -logKd/Ki=1.91,Ki=12.4mM
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:1f2o, PDBe:1f2o, PDBj:1f2o
PDBsum1f2o
PubMed11484227
UniProtP80561|APX_STRGG Aminopeptidase S (Gene Name=SGR_5809)

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