Structure of PDB 5fe3 Chain A Binding Site BS01

Receptor Information
>5fe3 Chain A (length=109) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RDPDQLYSTLKSILQQVKSHQSAWPFMEPVKRTEAPGYYEVIRFPMDLKT
MSERLKNRYYVSKKLFMADLQRVFTNCKEYNPPESEYYKCANILEKFFFS
KIKEAGLID
Ligand information
Ligand ID5WX
InChIInChI=1S/C8H8N2O2/c1-11-5-3-2-4-6-7(5)8(9)10-12-6/h2-4H,1H3,(H2,9,10)
InChIKeyYFNIGSJHKGKXEQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.4COc1cccc2c1c(no2)N
CACTVS 3.385COc1cccc2onc(N)c12
FormulaC8 H8 N2 O2
Name4-methoxy-1,2-benzoxazol-3-amine
ChEMBLCHEMBL3775669
DrugBank
ZINCZINC000000161909
PDB chain5fe3 Chain A Residue 904 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5fe3 Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain.
Resolution2.12 Å
Binding residue
(original residue number in PDB)		P747 V752 N803 Y809
Binding residue
(residue number reindexed from 1)		P25 V30 N81 Y87
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.1.48: histone acetyltransferase.
2.3.1.57: diamine N-acetyltransferase.
Gene Ontology
Molecular Function
GO:0004402 histone acetyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:5fe3, PDBe:5fe3, PDBj:5fe3
PDBsum5fe3
PubMed26731131
UniProtQ92831|KAT2B_HUMAN Histone acetyltransferase KAT2B (Gene Name=KAT2B)

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