Structure of PDB 1mu0 Chain A Binding Site BS01

Receptor Information
>1mu0 Chain A (length=293) Species: 2303 (Thermoplasma acidophilum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDQECIENYAKVNGIYIYYKLCKAPEEKAKLMTMHGGPGMSHDYLLSLRD
MTKEGITVLFYDQFGCGRSEEPDQSKFTIDYGVEEAEALRSKLFGNEKVF
LMGSSYGGALALAYAVKYQDHLKGLIVSGGLSSVPLTVKEMNRLIDELPA
KYRDAIKKYGSSGSYENPEYQEAVNYFYHQHLLRSEDWPPEVLKSLEYAE
RRNVYRIMNGPNEFTITGTIKDWDITDKISAIKIPTLITVGEYDEVTPNV
ARVIHEKIAGSELHVFRDCSHLTMWEDREGYNKLLSDFILKHL
Ligand information
Ligand IDPHK
InChIInChI=1S/C10H14ClNO/c11-7-10(13)9(12)6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7,12H2/t9-,10-/m0/s1
InChIKeyYXWOYBQZWSLSMU-UWVGGRQHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)C[C@@H]([C@H](CCl)O)N
CACTVS 3.341N[CH](Cc1ccccc1)[CH](O)CCl
CACTVS 3.341N[C@@H](Cc1ccccc1)[C@@H](O)CCl
ACDLabs 10.04ClCC(O)C(N)Cc1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC(C(CCl)O)N
FormulaC10 H14 Cl N O
Name(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-BUTAN-2-OL
ChEMBL
DrugBankDB04415
ZINCZINC000012504342
PDB chain1mu0 Chain A Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1mu0 Structures of the tricorn-interacting aminopeptidase F1 with different ligands explain its catalytic mechanism
Resolution2.4 Å
Binding residue
(original residue number in PDB)		G36 G37 S105 Y106 M141 E213 H271
Binding residue
(residue number reindexed from 1)		G36 G37 S105 Y106 M141 E213 H271
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G37 S105 Y106 D244 H271
Catalytic site (residue number reindexed from 1) G37 S105 Y106 D244 H271
Enzyme Commision number 3.4.11.5: prolyl aminopeptidase.
Gene Ontology
Molecular Function
GO:0004177 aminopeptidase activity
GO:0008233 peptidase activity
Biological Process
GO:0006508 proteolysis

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:1mu0, PDBe:1mu0, PDBj:1mu0
PDBsum1mu0
PubMed12374735
UniProtP96084|PIP_THEAC Proline iminopeptidase (Gene Name=pip)

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