Structure of PDB 5jqs Chain A Binding Site BS01

Receptor Information
>5jqs Chain A (length=251) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PDFYCVKWIPWKGEQTPIITQSTNGPCPLLAIMNILFLQWKVKLPPQKEV
ITSDELMAHLGNCLLSIKPQQLNFQQNVDDAMTVLPKLATGLDVNVRFTG
VSDFEYTPECSVFDLLGIPLYHGWLVDPQSPEAVRAVGKLSYNQLVERII
TCKHSSDTNLVTEGLIAEQFLETTAAQLTYHGLCELTAAAKEGELSVFFR
NNHFSTMTKHKSHLYLLVTDQGFLQEEQVVWESLHNVDGDSCFCDSDFHL
S
Ligand information
Ligand IDAYE
InChIInChI=1S/C3H7N/c1-2-3-4/h2H,1,3-4H2
InChIKeyVVJKKWFAADXIJK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NCC=C
OpenEye OEToolkits 1.5.0C=CCN
ACDLabs 10.04C=C\CN
FormulaC3 H7 N
Nameprop-2-en-1-amine;
ALLYLAMINE
ChEMBLCHEMBL57286
DrugBank
ZINCZINC000017654097
PDB chain5jqs Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5jqs MINDY-1 Is a Member of an Evolutionarily Conserved and Structurally Distinct New Family of Deubiquitinating Enzymes.
Resolution2.65 Å
Binding residue
(original residue number in PDB)		C137 H319
Binding residue
(residue number reindexed from 1)		C27 H203
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.19.12: ubiquitinyl hydrolase 1.
Gene Ontology
Molecular Function
GO:0004843 cysteine-type deubiquitinase activity
GO:1990380 K48-linked deubiquitinase activity

View graph for
Molecular Function
External links
PDB RCSB:5jqs, PDBe:5jqs, PDBj:5jqs
PDBsum5jqs
PubMed27292798
UniProtQ8N5J2|MINY1_HUMAN Ubiquitin carboxyl-terminal hydrolase MINDY-1 (Gene Name=MINDY1)

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