Structure of PDB 8pji Chain A Binding Site BS01

Receptor Information
>8pji Chain A (length=140) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QCTVQVRLELGHRAQLRKKPTTEGFTHDWMVFVRGPEQCDIQHFVEKVVF
WLHDSFPKPRRVCKEPPYKVEESGYAGFIMPIEVHFKNKEEPRKVCFTYD
LFLNLEGNPPVNHLRCEKLTFNNPTTEFRYKLLRAGGVMV
Ligand information
Ligand IDZJF
InChIInChI=1S/C15H17N3O2/c19-13-7-3-6-12(8-13)18-9-14(16-10-18)15(20)17-11-4-1-2-5-11/h3,6-11,19H,1-2,4-5H2,(H,17,20)
InChIKeyAQKIQKNFSLFVDF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Oc1cccc(c1)n2cnc(c2)C(=O)NC3CCCC3
OpenEye OEToolkits 2.0.7c1cc(cc(c1)O)n2cc(nc2)C(=O)NC3CCCC3
FormulaC15 H17 N3 O2
Name~{N}-cyclopentyl-1-(3-hydroxyphenyl)imidazole-4-carboxamide
ChEMBL
DrugBank
ZINC
PDB chain8pji Chain A Residue 304 [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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PDB8pji Discovery of PFI-6, a small-molecule chemical probe for the YEATS domain of MLLT1 and MLLT3.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		F28 S58 F59 P60 E75 S76 G77 Y78 A79 F81
Binding residue
(residue number reindexed from 1)		F25 S55 F56 P57 E72 S73 G74 Y75 A76 F78
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006355 regulation of DNA-templated transcription

View graph for
Biological Process
External links
PDB RCSB:8pji, PDBe:8pji, PDBj:8pji
PDBsum8pji
PubMed37944866
UniProtQ03111|ENL_HUMAN Protein ENL (Gene Name=MLLT1)

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