Structure of PDB 2hu8 Chain A Binding Site BS01

Receptor Information
>2hu8 Chain A (length=575) Species: 56636 (Aeropyrum pernix) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EFSRIVRDVERLIAVEKYSLQGVVDGDKLLVVGFSEGSVNAYLYDGGETV
KLNREPINSVLDPHYGVGRVILVRDVSKGAEQHALFKVNTSRPGEEQRLE
AVKPMRILSGVDTGEAVVFTGATEDRVALYALDGGGLRELARLPGFGFVS
DIRGDLIAGLGFFGGGRVSLFTSNLSSGGLRVFDSGEGSFSSASISPGMK
VTAGLETAREARLVTVDPRDGSVEDLELPSKDFSSYRPTAITWLGYLPDG
RLAVVARREGRSAVFIDGERVEAPQGNHGRVVLWRGKLVTSHTSLSTPPR
IVSLPSGEPLLEGGLPEDLRRSIAGSRLVWVESFDGSRVPTYVLESGRAP
TPGPTVVLVHGGPFAEDSDSWDTFAASLAAAGFHVVMPNYRGSTGYGEEW
RLKIIGDPCGGELEDVSAAARWARESGLASELYIMGYAYGGYMTLCALTM
KPGLFKAGVAGASVVDWEEMYELSDAAFRNFIEQLTGGSREIMRSRSPIN
HVDRIKEPLALIHPQNDSRTPLKPLLRLMGELLARGKTFEAHIIPDAGHA
INTMEDAVKILLPAVFFLATQRERR
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 chain2hu8 Chain A Residue 1003 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2hu8 The Acylaminoacyl Peptidase from Aeropyrum pernix K1 Thought to Be an Exopeptidase Displays Endopeptidase Activity
Resolution2.4 Å
Binding residue
(original residue number in PDB)		G369 A445 Y446 F485
Binding residue
(residue number reindexed from 1)		G362 A438 Y439 F478
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) S42 E43
Catalytic site (residue number reindexed from 1) S35 E36
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2hu8, PDBe:2hu8, PDBj:2hu8
PDBsum2hu8
PubMed17350041
UniProtQ9YBQ2|APEH_AERPE Acylamino-acid-releasing enzyme (Gene Name=APE_1547.1)

[Back to BioLiP]