Structure of PDB 6fgi Chain A Binding Site BS01

Receptor Information
>6fgi Chain A (length=103) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HSDLTFCEIILMEMESHDAAWPFLEPVNPRLVSGYRRIIKNPMDFSTMRE
RLLRGGYTSSEEFAADALLVFDNCQTFNEDDSEVGKAGHIMRRFFESRWE
EFY
Ligand information
Ligand IDD9K
InChIInChI=1S/C11H16N2O2S/c1-9-11(5-2-6-12-9)13-10-4-3-7-16(14,15)8-10/h2,5-6,10,13H,3-4,7-8H2,1H3/t10-/m0/s1
InChIKeyUTGFIRRMSACIPX-JTQLQIEISA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1ncccc1N[CH]2CCC[S](=O)(=O)C2
CACTVS 3.385Cc1ncccc1N[C@H]2CCC[S](=O)(=O)C2
OpenEye OEToolkits 2.0.6Cc1c(cccn1)N[C@H]2CCCS(=O)(=O)C2
OpenEye OEToolkits 2.0.6Cc1c(cccn1)NC2CCCS(=O)(=O)C2
FormulaC11 H16 N2 O2 S
Name~{N}-[(3~{S})-1,1-bis(oxidanylidene)thian-3-yl]-2-methyl-pyridin-3-amine
ChEMBL
DrugBank
ZINC
PDB chain6fgi Chain A Residue 1901 [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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PDB6fgi Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
Resolution2.551 Å
Binding residue
(original residue number in PDB)		F1818 V1822 Y1830 F1872 N1873
Binding residue
(residue number reindexed from 1)		F23 V27 Y35 F77 N78
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6fgi, PDBe:6fgi, PDBj:6fgi
PDBsum6fgi
PubMed29770599
UniProtQ9UIF9|BAZ2A_HUMAN Bromodomain adjacent to zinc finger domain protein 2A (Gene Name=BAZ2A)

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