Structure of PDB 5lai Chain K Binding Site BS01

Receptor Information

>5lai Chain K (length=211) Species: 559292 (Saccharomyces cerevisiae S288C)

TTLAFRFQGGIIVAVDSRATAGNWVASQTVKKVIEINPFLLGTMAGGAAD
CQFWETWLGSQCRLHELREKERISVAAASKILSNLVYQYKGAGLSMGTMI
CGYTRKEGPTIYYVDSDGTRLKGDIFCVGSGQTFAYGVLDSNYKWDLSVE
DALYLGKRSILAAAHRDAYSGGSVNLYHVTEDGWIYHGNHDVGELFWKVK
EEEGSFNNVIG

Ligand information

• Ligand ID: 3K4
• InChI: InChI=1S/C4H7NO2/c1-2-3(5-2)4(6)7/h2-3,5H,1H3,(H,6,7)/t2-,3-/m0/s1
• InChIKey: QOISFPILRGBKKL-HRFVKAFMSA-N
• SMILES:
  OpenEye OEToolkits 1.7.6: CC1C(N1)C(=O)O
  ACDLabs 12.01: O=C(O)C1NC1C
  CACTVS 3.385: C[CH]1N[CH]1C(O)=O
  CACTVS 3.385: C[C@@H]1N[C@@H]1C(O)=O
  OpenEye OEToolkits 1.7.6: C[C@H]1[C@H](N1)C(=O)O
• Formula: C4 H7 N O2
• Name: (2S,3S)-3-methylaziridine-2-carboxylic acid
• PDB chain: 5lai Chain K Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5lai Tunable Probes with Direct Fluorescence Signals for the Constitutive and Immunoproteasome.
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): T2 D17 K33 G130 S131 Y170 S171
• Binding residue (residue number reindexed from 1): T1 D16 K32 G129 S130 Y169 S170
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D17 R19 K33 G47 S131 D168 S171
• Catalytic site (residue number reindexed from 1): D16 R18 K32 G46 S130 D167 S170
• Enzyme Commision number: 3.4.25.1: proteasome endopeptidase complex.

Gene Ontology

Molecular Function

• GO:0004298 threonine-type endopeptidase activity

Biological Process

• GO:0051603 proteolysis involved in protein catabolic process

Cellular Component

• GO:0005839 proteasome core complex

External links

• PDB: RCSB:5lai, PDBe:5lai, PDBj:5lai
• PDBsum: 5lai
• PubMed: 27709817
• UniProt: P30656|PSB5_YEAST Proteasome subunit beta type-5 (Gene Name=PRE2)