Structure of PDB 5mgm Chain A Binding Site BS01

Receptor Information
>5mgm Chain A (length=100) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LTFCEIILMEMESHDAAWPFLEPVNPRLVSGYRRIIKNPMDFSTMRERLL
RGGYTSSEEFAADALLVFDNCQTFNEDDSEVGKAGHIMRRFFESRWEEFY
Ligand information
Ligand ID7MZ
InChIInChI=1S/C12H10N2O2/c1-9(15)10-4-2-5-11(8-10)16-12-13-6-3-7-14-12/h2-8H,1H3
InChIKeyOMHNTGPQUCHKHG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(=O)c1cccc(c1)Oc2ncccn2
CACTVS 3.385CC(=O)c1cccc(Oc2ncccn2)c1
FormulaC12 H10 N2 O2
Name1-(3-pyrimidin-2-yloxyphenyl)ethanone
ChEMBLCHEMBL1612460
DrugBank
ZINCZINC000000170272
PDB chain5mgm 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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PDB5mgm Discovery of BAZ2A bromodomain ligands.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		P1817 F1818 E1820 V1822 V1827 N1873 V1879
Binding residue
(residue number reindexed from 1)		P19 F20 E22 V24 V29 N75 V81
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=3.30,Kd>500uM
BindingDB: Kd=>500000nM
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5mgm, PDBe:5mgm, PDBj:5mgm
PDBsum5mgm
PubMed28837921
UniProtQ9UIF9|BAZ2A_HUMAN Bromodomain adjacent to zinc finger domain protein 2A (Gene Name=BAZ2A)

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