Structure of PDB 7ty3 Chain A

Receptor sequence

>7ty3A (length=238) Species: 9606 (Homo sapiens)

GPSCVMDDFRDPQRWKECAKQGKMPCYFDLIEENVYLTERRMQCECTPLS
KDERAQGEIACGEDCLNRLLMIECSSRCPNGDYCSNRRFQRKQHADVEVI
LTEKKGWGLRAAKDLPSNTFVLEYCGEVLDHKEFKARVKEYARNKNIHYY
FMALKNDEIIDATQKGNCSRFMNHSCEPNCETQKWTVNGQLRVGFFTTKL
VPSGSELTFDYQFQRYGKEAQKCFCGSANCRGYLGGEN

3D structure

• PDB: 7ty3 Conformational-Design-Driven Discovery of EZM0414: A Selective, Potent SETD2 Inhibitor for Clinical Studies.
• Chain: A
• Resolution: 2.3 Å

Enzymatic activity

• Enzyme Commision number: 2.1.1.-
  2.1.1.359: [histone H3]-lysine(36) N-trimethyltransferase.

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	ZN	A	C1499 C1501 C1516 C1520	C44 C46 C61 C65
BS02	ZN	A	C1516 C1529 C1533 C1539	C61 C74 C78 C84
BS03	ZN	A	C1631 C1678 C1680 C1685	C176 C223 C225 C230
BS04	SAM	A	K1560 W1562 H1603 Y1604 Y1605 R1625 F1626 N1628 H1629 Q1676 C1678 F1679 L1689	K105 W107 H148 Y149 Y150 R170 F171 N173 H174 Q221 C223 F224 L234
BS05	KRF	A	Y1579 Y1604 F1606 F1664 Y1666 F1668 Y1671	Y124 Y149 F151 F209 Y211 F213 Y216

Gene Ontology

Molecular Function

• GO:0016279 protein-lysine N-methyltransferase activity
• GO:0042054 histone methyltransferase activity
• GO:0046975 histone H3K36 methyltransferase activity

Cellular Component

• GO:0005634 nucleus

External links

• PDB: RCSB:7ty3, PDBe:7ty3, PDBj:7ty3
• PDBsum: 7ty3
• PubMed: 35859865
• UniProt: Q9BYW2|SETD2_HUMAN Histone-lysine N-methyltransferase SETD2 (Gene Name=SETD2)