Structure of PDB 1xqx Chain A Binding Site BS01

Receptor Information
>1xqx 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
SAYGGALALAYAVKYQDHLKGLIVSGGLSSVPLTVKEMNRLIDELPAKYR
DAIKKYGSSGSYENPEYQEAVNYFYHQHLLRSEDWPPEVLKSLEYAERRN
VYRIMNGPNEFTITGTIKDWDITDKISAIKIPTLITVGEYDEVTPNVARV
IHEKIAGSELHVFRDCSHLTMWEDREGYNKLLSDFILKHL
Ligand information
Ligand IDPCS
InChIInChI=1S/C10H12ClNO/c11-7-10(13)9(12)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2/t9-/m0/s1
InChIKeyCNNSBPMDYXZFTQ-VIFPVBQESA-N
SMILES
SoftwareSMILES
ACDLabs 10.04ClCC(=O)C(N)Cc1ccccc1
CACTVS 3.341N[CH](Cc1ccccc1)C(=O)CCl
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC(C(=O)CCl)N
OpenEye OEToolkits 1.5.0c1ccc(cc1)C[C@@H](C(=O)CCl)N
CACTVS 3.341N[C@@H](Cc1ccccc1)C(=O)CCl
FormulaC10 H12 Cl N O
NamePHENYLALANYLMETHYLCHLORIDE
ChEMBL
DrugBankDB08374
ZINCZINC000002504633
PDB chain1xqx Chain A Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1xqx X-ray snapshots of peptide processing in mutants of tricorn-interacting factor F1 from Thermoplasma acidophilum
Resolution2.1 Å
Binding residue
(original residue number in PDB)		G37 M40 A105 Y106 N209 E213 I216 I220 E245 H271
Binding residue
(residue number reindexed from 1)		G34 M37 A102 Y103 N206 E210 I213 I217 E242 H268
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G37 A105 Y106 D244 H271
Catalytic site (residue number reindexed from 1) G34 A102 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

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:1xqx, PDBe:1xqx, PDBj:1xqx
PDBsum1xqx
PubMed15994304
UniProtP96084|PIP_THEAC Proline iminopeptidase (Gene Name=pip)

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