Structure of PDB 5ohk Chain A Binding Site BS02

Receptor Information

>5ohk Chain A (length=304) Species: 9606 (Homo sapiens)

KGLVPGLVNLGNTCFMNSLLQGLSACPAFIRWLEEFTSQYSRQYLSLTLL
HLLKALSCQEVTDDEVLDASCLLDVLRMYRWQISSFEEQDAHELFHVITS
SLEDERDGSGSHWKSQHPFHGRLTSNMVCKHCEHQSPVRFDTFDSLSLSI
PAATWGHPLTLDHCLHHFISSESVRDVVCDNCTKRTTFVKQLKLGKLPQC
LCIHLQRLSWSSHGTPLKRHEHVQFNEDLSMDEYKYHSNASTYLFRLMAV
VVHHGDMHSGHFVTYRRSPPSSNQWLWVSDDTVRKASLQEVLSSSAYLLF
YERV

Ligand information

• Ligand ID: AYE
• InChI: InChI=1S/C3H7N/c1-2-3-4/h2H,1,3-4H2
• InChIKey: VVJKKWFAADXIJK-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: NCC=C
  OpenEye OEToolkits 1.5.0: C=CCN
  ACDLabs 10.04: C=C\CN
• Formula: C3 H7 N
• Name: prop-2-en-1-amine;
  ALLYLAMINE
• ChEMBL: CHEMBL57286
• ZINC: ZINC000017654097
• PDB chain: 5ohk Chain A Residue 602

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5ohk Mechanism and regulation of the Lys6-selective deubiquitinase USP30.
• Resolution: 2.34 Å
• Binding residue (original residue number in PDB): N75 C77 E159 G451
• Binding residue (residue number reindexed from 1): N12 C14 E88 G260
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): N72 C77 H452 S477
• Catalytic site (residue number reindexed from 1): N9 C14 H261 S279
• Enzyme Commision number: 3.4.19.12: ubiquitinyl hydrolase 1.

Gene Ontology

Molecular Function

• GO:0004843 cysteine-type deubiquitinase activity

Biological Process

• GO:0016579 protein deubiquitination

External links

• PDB: RCSB:5ohk, PDBe:5ohk, PDBj:5ohk
• PDBsum: 5ohk
• PubMed: 28945249
• UniProt: Q70CQ3|UBP30_HUMAN Ubiquitin carboxyl-terminal hydrolase 30 (Gene Name=USP30)