Structure of PDB 6p9g Chain A Binding Site BS02

Receptor Information
>6p9g Chain A (length=117) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VRQVSKHAFSLKQLDNPARIPPCGWKCSKCDMRENLWLNLTDGSILCGRR
YFDGSGGNNHAVEHYRETGYPLAVKLGTITPDGADVYSYDEDDMVLDPSL
AEHLSHFGIDMLKMQKT
Ligand information
Ligand IDO4Y
InChIInChI=1S/C11H10N2O3/c1-7(11(15)16)13-6-12-9-5-3-2-4-8(9)10(13)14/h2-7H,1H3,(H,15,16)/t7-/m1/s1
InChIKeyAOIOGRLXASIYJK-SSDOTTSWSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[C@@H](N1C=Nc2ccccc2C1=O)C(O)=O
ACDLabs 12.01CC(C(O)=O)N2C=Nc1c(cccc1)C2=O
CACTVS 3.385C[CH](N1C=Nc2ccccc2C1=O)C(O)=O
OpenEye OEToolkits 2.0.7CC(C(=O)O)N1C=Nc2ccccc2C1=O
OpenEye OEToolkits 2.0.7C[C@H](C(=O)O)N1C=Nc2ccccc2C1=O
FormulaC11 H10 N2 O3
Name(2R)-2-(4-oxoquinazolin-3(4H)-yl)propanoic acid
ChEMBL
DrugBank
ZINCZINC000000253691
PDB chain6p9g Chain A Residue 302 [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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PDB6p9g Discovery of Small Molecule Antagonists of the USP5 Zinc Finger Ubiquitin-Binding Domain.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		W209 G220 R221 Y259 Y261
Binding residue
(residue number reindexed from 1)		W37 G48 R49 Y87 Y89
Annotation score1
Binding affinityBindingDB: Kd=60000nM
Enzymatic activity
Enzyme Commision number 3.4.19.12: ubiquitinyl hydrolase 1.
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding

View graph for
Molecular Function
External links
PDB RCSB:6p9g, PDBe:6p9g, PDBj:6p9g
PDBsum6p9g
PubMed31663737
UniProtP45974|UBP5_HUMAN Ubiquitin carboxyl-terminal hydrolase 5 (Gene Name=USP5)

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