Structure of PDB 1xrl Chain A Binding Site BS01

Receptor Information
>1xrl Chain A (length=290) Species: 2303 (Thermoplasma acidophilum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ECIENYAKVNGIYIYYKLCKAPEEKAKLMTMHGGPGMSHDYLLSLRDMTK
EGITVLFYDQFGCGRSEEPDQSKFTIDYGVEEAEALRSKLFGNEKVFLMG
SSYGGALALAYAVKYQDHLKGLIVSGGLSSVPLTVKEMNRLIDELPAKYR
DAIKKYGSSGSYENPEYQEAVNYFYHQHLLRSEDWPPEVLKSLEYAERRN
VFRIMNGPNEFTITGTIKDWDITDKISAIKIPTLITVGEYDEVTPNVARV
IHEKIAGSELHVFRDCSHLTMWEDREGYNKLLSDFILKHL
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 chain1xrl 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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PDB1xrl X-ray snapshots of peptide processing in mutants of tricorn-interacting factor F1 from Thermoplasma acidophilum
Resolution1.82 Å
Binding residue
(original residue number in PDB)		G36 G37 Y44 S105 Y106 M141 N209 E213 H271
Binding residue
(residue number reindexed from 1)		G33 G34 Y41 S102 Y103 M138 N206 E210 H268
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G37 S105 Y106 D244 H271
Catalytic site (residue number reindexed from 1) G34 S102 Y103 D241 H268
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

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Molecular Function
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Biological Process
External links
PDB RCSB:1xrl, PDBe:1xrl, PDBj:1xrl
PDBsum1xrl
PubMed15994304
UniProtP96084|PIP_THEAC Proline iminopeptidase (Gene Name=pip)

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