Structure of PDB 3jyu Chain B Binding Site BS01

Receptor Information
>3jyu Chain B (length=216) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RPDVETQKTELGALMGTTLQRGAQWYLIDSRWFKQWKKYVGFDSWDMYNV
GEHNLFPGPIDNSGLFSDPESQTLKEHLIDELDYVLVPAEAWNKLLNWYG
CVEGQQPIVRKVVEHGLFVKHCKVEVYLLELKLCENSDPTNVLSCHFSKA
DTIATIEKEMRKLFNIPAERETRLWNKYMSNTYEQLSKLDNTIQDAGLYQ
GQVLVIEPQNEDGTWP
Ligand information
Ligand ID1PS
InChIInChI=1S/C8H11NO3S/c10-13(11,12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKeyREEBJQTUIJTGAL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[O-][S](=O)(=O)CCC[n+]1ccccc1
ACDLabs 10.04[O-]S(=O)(=O)CCC[n+]1ccccc1
OpenEye OEToolkits 1.5.0c1cc[n+](cc1)CCCS(=O)(=O)[O-]
FormulaC8 H11 N O3 S
Name3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE;
1-(3-SULFOPROPYL) PYRIDINIUM;
PPS
ChEMBL
DrugBank
ZINC
PDB chain3jyu Chain B Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3jyu Crystal structure of the N-terminal domains of the ubiquitin specific peptidase 4 (USP4)
Resolution2.37 Å
Binding residue
(original residue number in PDB)		E16 M58 Y59 N60
Binding residue
(residue number reindexed from 1)		E5 M47 Y48 N49
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.19.12: ubiquitinyl hydrolase 1.
Gene Ontology
Molecular Function
GO:0004843 cysteine-type deubiquitinase activity

View graph for
Molecular Function
External links
PDB RCSB:3jyu, PDBe:3jyu, PDBj:3jyu
PDBsum3jyu
PubMed
UniProtP35123|UBP4_MOUSE Ubiquitin carboxyl-terminal hydrolase 4 (Gene Name=Usp4)

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