Structure of PDB 5lsy Chain A

Receptor sequence

>5lsyA (length=246) Species: 9606 (Homo sapiens)

GETSVPPGSALVGPSCVMDDFRDPQRWKECAKQGKMPCYFDLIEENVYLT
RMQCECTPLEIACGEDCLNRLLMIECSSRCPNGDYCSNRRFQRKQHADVE
VILTEKKGWGLRAAKDLPSNTFVLEYCGEVLDHKEFKARVKEYARNKNIH
YYFMALKNDEIIDATQKGNCSRFMNHSCEPNCETQKWTVNGQLRVGFFTT
KLVPSGSELTFDYQFQRYGKEAQKCFCGSANCRGYLGGENRVSIRA

3D structure

• PDB: 5lsy Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives.
• Chain: A
• Resolution: 1.62 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): Y1579 Y1666
• Catalytic site (residue number reindexed from 1): Y126 Y213
• 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	C54 C56 C63 C67
BS02	ZN	A	C1516 C1529 C1533 C1539	C63 C76 C80 C86
BS03	ZN	A	C1631 C1678 C1680 C1685	C178 C225 C227 C232
BS04	76M	A	K1560 G1561 W1562 Y1579 H1603 Y1604 Y1605 R1625 F1626 M1627 N1628 H1629 F1664 Y1666 Q1669 C1678 F1679	K107 G108 W109 Y126 H150 Y151 Y152 R172 F173 M174 N175 H176 F211 Y213 Q216 C225 F226	PDBbind-CN: -logKd/Ki=6.54,IC50=0.29uM

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:5lsy, PDBe:5lsy, PDBj:5lsy
• PDBsum: 5lsy
• PubMed: 27571355
• UniProt: Q9BYW2|SETD2_HUMAN Histone-lysine N-methyltransferase SETD2 (Gene Name=SETD2)