Structure of PDB 6fh6 Chain A Binding Site BS01

Receptor Information
>6fh6 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 IDD8Q
InChIInChI=1S/C9H13N3O2/c1-12-6-7(2-3-8(12)13)9(14)11-5-4-10/h2-3,6H,4-5,10H2,1H3,(H,11,14)
InChIKeyMBASUXNNJWJUFS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CN1C=C(C=CC1=O)C(=O)NCCN
FormulaC9 H13 N3 O2
Name~{N}-(2-azanylethyl)-1-methyl-6-oxidanylidene-pyridine-3-carboxamide
ChEMBL
DrugBank
ZINC
PDB chain6fh6 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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PDB6fh6 Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
Resolution2.082 Å
Binding residue
(original residue number in PDB)		P1888 F1889 Y1901 F1943 N1944 I1950
Binding residue
(residue number reindexed from 1)		P33 F34 Y46 F88 N89 I95
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=3.00,IC50>1000uM
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6fh6, PDBe:6fh6, PDBj:6fh6
PDBsum6fh6
PubMed29770599
UniProtQ9UIF8|BAZ2B_HUMAN Bromodomain adjacent to zinc finger domain protein 2B (Gene Name=BAZ2B)

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