Structure of PDB 7bl9 Chain A Binding Site BS01

Receptor Information
>7bl9 Chain A (length=105) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMHSDLTFCEIILMEMESHDAAWPFLEPVNPRLVSGYRRIIKNPMDFSTM
RERLLRGGYTSSEEFAADALLVFDNCQTFNEDDSEVGKAGHIMRRFFESR
WEEFY
Ligand information
Ligand ID3WQ
InChIInChI=1S/C20H21NO4S/c1-4-11-25-15-9-10-21-18(14(2)22)13-17(19(21)12-15)16-7-5-6-8-20(16)26(3,23)24/h5-10,12-13H,4,11H2,1-3H3
InChIKeyKHWCPNJRJCNVRI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCCOc1ccn2c(c1)c(cc2C(=O)C)c3ccccc3S(=O)(=O)C
ACDLabs 12.01O=S(=O)(c3ccccc3c1cc(C(=O)C)n2c1cc(OCCC)cc2)C
CACTVS 3.385CCCOc1ccn2c(cc(c2c1)c3ccccc3[S](C)(=O)=O)C(C)=O
FormulaC20 H21 N O4 S
Name1-{1-[2-(methylsulfonyl)phenyl]-7-propoxyindolizin-3-yl}ethanone
ChEMBLCHEMBL3739699
DrugBank
ZINCZINC000095930485
PDB chain7bl9 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

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7bl9 Chemical probes in the BAZ2A bromodomain
Resolution1.3 Å
Binding residue
(original residue number in PDB)		W1816 P1817 E1820 V1822 V1827 N1873 V1879
Binding residue
(residue number reindexed from 1)		W23 P24 E27 V29 V34 N80 V86
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7bl9, PDBe:7bl9, PDBj:7bl9
PDBsum7bl9
PubMed
UniProtQ9UIF9|BAZ2A_HUMAN Bromodomain adjacent to zinc finger domain protein 2A (Gene Name=BAZ2A)

[Back to BioLiP]