Structure of PDB 3smr Chain A

Receptor sequence

>3smrA (length=302) Species: 9606 (Homo sapiens) [Search protein sequence]

VKPNYALKFTLAGHTKAVSSVKFSPNGEWLASSSADKLIKIWGAYDGKFE
KTISGHKLGISDVAWSSDSNLLVSASDDKTLKIWDVSSGKCLKTLKGHSN
YVFCCNFNPQSNLIVSGSFDESVRIWDVKTGKCLKTLPAHSDPVSAVHFN
RDGSLIVSSSYDGLCRIWDTASGQCLKTLIDNPPVSFVKFSPNGKYILAA
TLDNTLKLWDYSKGKCLKTYTGHKNEKYCIFANFSVTGGKWIVSGSEDNL
VYIWNLQTKEIVQKLQGHTDVVISTACHPTENIIASAALENDKTIKLWKS
DC

3D structure

PDB

3smr Small-molecule inhibition of MLL activity by disruption of its interaction with WDR5.

Chain

Resolution

1.82 Å

3D
structure

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Enzymatic activity

Enzyme Commision number

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	NP7	A	S49 S50 I90 S91 D92 F133 C261	S19 S20 I60 S61 D62 F103 C229	BindingDB: Kd=7000nM

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:3smr, PDBe:3smr, PDBj:3smr
PDBsum	3smr
PubMed	22989411
UniProt	P61964\|WDR5_HUMAN WD repeat-containing protein 5 (Gene Name=WDR5)

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