Structure of PDB 6g2b Chain A Binding Site BS01

Receptor Information
>6g2b Chain A (length=123) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VKFQVGDLVWSKVGTYPWWPCMVSSDPQLEVHTKINTRGAREYHVQFFSN
QPERAWVHEKRVREYKGHKQYEELLAEAQKIRKPRPQRERAQWDIGIAHA
EKALKMTREERIEQYTFIYIDKQ
Ligand information
Ligand IDEH8
InChIInChI=1S/C15H13N3/c1-18-11-17-14(12-5-3-2-4-6-12)15(18)13-7-9-16-10-8-13/h2-11H,1H3
InChIKeyNSJCXUONRHOYTD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cn1cnc(c1c2ccncc2)c3ccccc3
CACTVS 3.385Cn1cnc(c2ccccc2)c1c3ccncc3
FormulaC15 H13 N3
Name4-(3-methyl-5-phenyl-imidazol-4-yl)pyridine
ChEMBLCHEMBL5265919
DrugBank
ZINC
PDB chain6g2b Chain A Residue 401 [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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PDB6g2b Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Resolution1.61 Å
Binding residue
(original residue number in PDB)		V278 Y281 W284 F312 S314 Q316 E318
Binding residue
(residue number reindexed from 1)		V13 Y16 W19 F47 S49 Q51 E53
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=3.80,Kd=160uM
Enzymatic activity
Enzyme Commision number 2.1.1.370: [histone H3]-lysine(4) N-dimethyltransferase.
2.1.1.371: [histone H3]-lysine(27) N-dimethyltransferase.
External links
PDB RCSB:6g2b, PDBe:6g2b, PDBj:6g2b
PDBsum6g2b
PubMed31285596
UniProtQ9BZ95|NSD3_HUMAN Histone-lysine N-methyltransferase NSD3 (Gene Name=NSD3)

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