Structure of PDB 6e1z Chain A Binding Site BS01

Receptor Information
>6e1z Chain A (length=307) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PTPVKPNYALKFTLAGHTKAVSSVKFSPNGEWLASSSADKLIKIWGAYDG
KFEKTISGHKLGISDVAWSSDSNLLVSASDDKTLKIWDVSSGKCLKTLKG
HSNYVFCCNFNPQSNLIVSGSFDESVRIWDVKTGKCLKTLPAHSDPVSAV
HFNRDGSLIVSSSYDGLCRIWDTASGQCLKTLIDDDNPPVSFVKFSPNGK
YILAATLDNTLKLWDYSKGKCLKTYTGHKNEKYCIFANFSVTGGKWIVSG
SEDNLVYIWNLQTKEIVQKLQGHTDVVISTACHPTENIIASAALENDKTI
KLWKSDC
Ligand information
Ligand IDHLP
InChIInChI=1S/C9H8N2O3/c12-9(13)8-2-1-7(14-8)5-11-4-3-10-6-11/h1-4,6H,5H2,(H,12,13)
InChIKeyNNJVURHBCVIUHK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(oc1Cn2ccnc2)C(=O)O
CACTVS 3.385OC(=O)c1oc(Cn2ccnc2)cc1
ACDLabs 12.01n1(cncc1)Cc2ccc(C(=O)O)o2
FormulaC9 H8 N2 O3
Name5-[(1H-imidazol-1-yl)methyl]furan-2-carboxylic acid
ChEMBLCHEMBL5198324
DrugBank
ZINCZINC000034925786
PDB chain6e1z Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6e1z Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Resolution1.1 Å
Binding residue
(original residue number in PDB)		S91 F133 Y260 C261 F263 I305
Binding residue
(residue number reindexed from 1)		S64 F106 Y233 C234 F236 I278
Annotation score1
Binding affinityMOAD: Kd=150000nM
PDBbind-CN: -logKd/Ki=3.82,Kd=150uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0035064 methylated histone binding
GO:0042393 histone binding
GO:0042800 histone H3K4 methyltransferase activity
Biological Process
GO:0000122 negative regulation of transcription by RNA polymerase II
GO:0001501 skeletal system development
GO:0006094 gluconeogenesis
GO:0006325 chromatin organization
GO:0006355 regulation of DNA-templated transcription
GO:0006357 regulation of transcription by RNA polymerase II
GO:0045722 positive regulation of gluconeogenesis
GO:0045815 transcription initiation-coupled chromatin remodeling
GO:0045893 positive regulation of DNA-templated transcription
GO:0045995 regulation of embryonic development
GO:0051302 regulation of cell division
GO:0051726 regulation of cell cycle
GO:0090043 regulation of tubulin deacetylation
Cellular Component
GO:0000123 histone acetyltransferase complex
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0035097 histone methyltransferase complex
GO:0044545 NSL complex
GO:0044665 MLL1/2 complex
GO:0044666 MLL3/4 complex
GO:0048188 Set1C/COMPASS complex
GO:0071339 MLL1 complex
GO:0072686 mitotic spindle
GO:0140672 ATAC complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6e1z, PDBe:6e1z, PDBj:6e1z
PDBsum6e1z
PubMed30865883
UniProtP61964|WDR5_HUMAN WD repeat-containing protein 5 (Gene Name=WDR5)

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