Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

Structure of PDB 6pg3 Chain B Binding Site BS01

Receptor Information >6pg3 Chain B (length=300) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] VKPNYALKFTLAGHTKAVSSVKFSPNGEWLASSSADKLIKIWGAYDGKFE KTISGHKLGISDVAWSSDSNLLVSASDDKTLKIWDVSSGKCLKTLKGHSN YVFCCNFNPQSNLIVSGSFDESVRIWDVKTGKCLKTLPAHSDPVSAVHFN RDGSLIVSSSYDGLCRIWDTASGQCLKTLNPPVSFVKFSPNGKYILAATL DNTLKLWDYSKGKCLKTYTGHKNEKYCIFANFSVTGGKWIVSGSEDNLVY IWNLQTKEIVQKLQGHTDVVISTACHPTENIIASAALENDKTIKLWKSDC

Ligand information Ligand ID OHJ InChI InChI=1S/C8H14N2O/c1-2-3-4-8-9-5-7(6-11)10-8/h5,11H,2-4,6H2,1H3,(H,9,10) InChIKey UZKBZGAMRJRWLR-UHFFFAOYSA-N SMILES Software SMILES OpenEye OEToolkits 2.0.7 CCCCc1[nH]cc(n1)CO CACTVS 3.385 CCCCc1[nH]cc(CO)n1 ACDLabs 12.01 C(c1cnc(CCCC)n1)O Formula C8 H14 N2 O Name (2-butyl-1H-imidazol-4-yl)methanol ChEMBL DrugBank ZINC ZINC000012956117 PDB chain 6pg3 Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 6pg3 Fragment screening for a protein-protein interaction inhibitor to WDR5. Resolution 2.04 Å Binding residue (original residue number in PDB) S91 F133 S175 A176 C261 F263 Binding residue (residue number reindexed from 1) S61 F103 S145 A146 C227 F229 Annotation score 1 Binding affinity MOAD: Kd=480uM

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

View graph for Molecular Function

View graph for Biological Process

View graph for Cellular Component