Structure of PDB 7ay2 Chain B Binding Site BS02

Receptor Information

>7ay2 Chain B (length=337) Species: 9606 (Homo sapiens)

ENLLPFVGLNNLGNTCYLNSILQVLYFCPGFKSGVKHLFNIISRKKLASY
ELICSLQSLIISVEQLQASFLLNPEKYTDELATQPRRLLNTLRELNPMYE
GYLQHDAQEVLQCILGNIQETCQLLKKEEVKNIGFELVEKLFQGQLVLRT
RCLECESLTERREDFQDISVPVQEDEMKTLRWAISQFASVERIVGEDKYF
CENCHHYTEAERSLLFDKMPEVITIHLKCFAASGLGGLSKINTPLLTPLK
LSLEEWSTKPTNDSYGLFAVVMHSGITISSGHYTASVKVTDEQSLKEYEG
KWLLFDDSEVKVTEEKDFLNSLSPPTSTPYLLFYKKL

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: 7ay2 Chain B Residue 802

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7ay2 Structural basis of FANCD2 deubiquitination by USP1-UAF1.
• Resolution: 3.2 Å
• Binding residue (original residue number in PDB): N88 C90 Q197
• Binding residue (residue number reindexed from 1): N14 C16 Q104
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.4.19.12: ubiquitinyl hydrolase 1.

Gene Ontology

Molecular Function

• GO:0004197 cysteine-type endopeptidase activity
• GO:0004843 cysteine-type deubiquitinase activity

Biological Process

• GO:0006282 regulation of DNA repair
• GO:0016579 protein deubiquitination

External links

• PDB: RCSB:7ay2, PDBe:7ay2, PDBj:7ay2
• PDBsum: 7ay2
• PubMed: 33795880
• UniProt: O94782|UBP1_HUMAN Ubiquitin carboxyl-terminal hydrolase 1 (Gene Name=USP1)