Structure of PDB 5cue Chain A Binding Site BS01

Receptor Information
>5cue Chain A (length=115) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMSVKKPKRDDSKDLALCSMILTEMETHEDAWPFLLPVNLKLVPGYKKVI
KKPMDFSTIREKLSSGQYPNLETFALDVRLVFDNCETFNEDDSDIGRAGH
NMRKYFEKKWTDTFK
Ligand information
Ligand ID54Y
InChIInChI=1S/C6H8ClN3O/c1-8-6(11)4-3-9-10(2)5(4)7/h3H,1-2H3,(H,8,11)
InChIKeyGWOXCPZAAJXFDL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01n1n(C)c(c(C(=O)NC)c1)Cl
OpenEye OEToolkits 1.9.2CNC(=O)c1cnn(c1Cl)C
CACTVS 3.385CNC(=O)c1cnn(C)c1Cl
FormulaC6 H8 Cl N3 O
Name5-chloro-N,1-dimethyl-1H-pyrazole-4-carboxamide
ChEMBL
DrugBank
ZINCZINC000013466607
PDB chain5cue Chain A Residue 2001 [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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PDB5cue Crystal structure of the second bromodomain of bromodomain adjancent to zinc finger domain protein 2B (BAZ2B) in complex with AGN-PC-04G0SS (SGC - Diamond I04-1 fragment screening)
Resolution2.08 Å
Binding residue
(original residue number in PDB)		V1893 F1943 N1944 I1950
Binding residue
(residue number reindexed from 1)		V38 F88 N89 I95
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5cue, PDBe:5cue, PDBj:5cue
PDBsum5cue
PubMed
UniProtQ9UIF8|BAZ2B_HUMAN Bromodomain adjacent to zinc finger domain protein 2B (Gene Name=BAZ2B)

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