Structure of PDB 2hu5 Chain A Binding Site BS02

Receptor Information
>2hu5 Chain A (length=573) Species: 56636 (Aeropyrum pernix) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FSRIVRDVERLIAVEKYSLQGVVDGDKLLVVGFSEGSVNAYLYDGGETVK
LNREPINSVLDPHYGVGRVILVRDVSKGAEQHALFKVNTSRPGEEQRLEA
VKPMRILSGVDTGEAVVFTGATEDRVALYALDGGGLRELARLPGFGFVSD
IRGDLIAGLGFFGGGRVSLFTSNLSSGGLRVFDSGEGSFSSASISPGMKV
TAGLETAREARLVTVDPRDGSVEDLELPSKDFSSYRPTAITWLGYLPDGR
LAVVARREGRSAVFIDGERVEAPQGNHGRVVLWRGKLVTSHTSLSTPPRI
VSLPSGEPLLEGGLPEDLRRSIAGSRLVWVESFDGSRVPTYVLESGRAPT
PGPTVVLVHGGPFAEDSDSWDTFAASLAAAGFHVVMPNYRGSTGYGEEWR
LKIIGDPCGGELEDVSAAARWARESGLASELYIMGYSYGGYMTLCALTMK
PGLFKAGVAGASVVDWEEMYELSDAAFRNFIEQLTGGSREIMRSRSPINH
VDRIKEPLALIHPQNDSRTPLKPLLRLMGELLARGKTFEAHIIPDAGHAI
NTMEDAVKILLPAVFFLATQRER
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 chain2hu5 Chain A Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2hu5 The Acylaminoacyl Peptidase from Aeropyrum pernix K1 Thought to Be an Exopeptidase Displays Endopeptidase Activity
Resolution2.0 Å
Binding residue
(original residue number in PDB)		G368 G369 S445 Y446 M477 F485
Binding residue
(residue number reindexed from 1)		G360 G361 S437 Y438 M469 F477
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) S42 E43
Catalytic site (residue number reindexed from 1) S34 E35
Enzyme Commision number 3.4.19.1: acylaminoacyl-peptidase.
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
GO:0008236 serine-type peptidase activity
GO:0008242 omega peptidase activity
GO:0016787 hydrolase activity
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2hu5, PDBe:2hu5, PDBj:2hu5
PDBsum2hu5
PubMed17350041
UniProtQ9YBQ2|APEH_AERPE Acylamino-acid-releasing enzyme (Gene Name=APE_1547.1)

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