Structure of PDB 1xrp Chain A Binding Site BS02

Receptor Information

>1xrp Chain A (length=290) Species: 2303 (Thermoplasma acidophilum)

ECIENYAKVNGIYIYYKLCKAPEEKAKLMTMHGGPGMSHDYLLSLRDMTK
EGITVLFYDQFGCGRSEEPDQSKFTIDYGVEEAEALRSKLFGNEKVFLMG
SSYGGALALAYAVKYQDHLKGLIVSGGLSSVPLTVKEMNRLIDELPAKYR
DAIKKYGSSGSYENPEYQEAVNYFYHQHLLRSEDWPPEVLKSLEYAERRN
VYRIMNGPNQFTITGTIKDWDITDKISAIKIPTLITVGEYDEVTPNVARV
IHEKIAGSELHVFRDCSHLTMWEDREGYNKLLSDFILKHL

Ligand information

• Ligand ID: PRO
• InChI: InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
• InChIKey: ONIBWKKTOPOVIA-BYPYZUCNSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C1C[C@H](NC1)C(=O)O
  CACTVS 3.341: OC(=O)[C@@H]1CCCN1
  CACTVS 3.341: OC(=O)[CH]1CCCN1
  OpenEye OEToolkits 1.5.0: C1CC(NC1)C(=O)O
  ACDLabs 10.04: O=C(O)C1NCCC1
• Formula: C5 H9 N O2
• Name: PROLINE
• ChEMBL: CHEMBL54922
• DrugBank: DB00172
• ZINC: ZINC000000895360
• PDB chain: 1xrp Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1xrp X-ray snapshots of peptide processing in mutants of tricorn-interacting factor F1 from Thermoplasma acidophilum
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): G37 N209 N212 Q213 I216
• Binding residue (residue number reindexed from 1): G34 N206 N209 Q210 I213
• Annotation score: 4

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

External links

• PDB: RCSB:1xrp, PDBe:1xrp, PDBj:1xrp
• PDBsum: 1xrp
• PubMed: 15994304
• UniProt: P96084|PIP_THEAC Proline iminopeptidase (Gene Name=pip)