Structure of PDB 5vsk Chain A Binding Site BS03

Receptor Information

>5vsk Chain A (length=330) Species: 9606 (Homo sapiens)

KKHTGYVGLKNQGATCYMNSLLQTLFFTNQLRKAVYMMPTEGDDSSKSVP
LALQRVFYELQHSDKPVGTKKLTKSFGWETLDSFMQHDVQELCRVLLDNV
ENKMKGTCVEGTIPKLFRGKMVSYIQCKEVDYRSDRREDYYDIQLSIKGK
KNIFESFVDYVAVEQLDGDNKYDAGEHGLQEAEKGVKFLTLPPVLHLQLM
RFMNIKINDRFEFPEQLPLDEFLQKTDPKDPANYILHAVLVHSGDNHGGH
YVVYLNPKGDGKWCKFDDDVVSRCTKEEAIEHNYGGHCTNAYMLVYIRES
KLSEVLQAVTDHDIPQQLVERLQEEKRIEA

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 5vsk Chain A Residue 603

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5vsk Structure-Guided Development of a Potent and Selective Non-covalent Active-Site Inhibitor of USP7.
• Resolution: 3.33 Å
• Binding residue (original residue number in PDB): H464 D481
• Binding residue (residue number reindexed from 1): H250 D267
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): N218 C223 H464 D481
• Catalytic site (residue number reindexed from 1): N11 C16 H250 D267
• 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:5vsk, PDBe:5vsk, PDBj:5vsk
• PDBsum: 5vsk
• PubMed: 29056421
• UniProt: Q93009|UBP7_HUMAN Ubiquitin carboxyl-terminal hydrolase 7 (Gene Name=USP7)