Structure of PDB 4fmu Chain A

Receptor sequence

>4fmuA (length=235) Species: 9606 (Homo sapiens)

LVGPSCVMDDFRDPQRWKECAKQGKMPCYFDLIEENVYLTMQCECTPLSK
DERAQGEIACGEDCLNRLLMIECSSRCPNGDYCSNRRFQRKQHADVEVIL
TEKKGWGLRAAKDLPSNTFVLEYCGEVLDHKEFKARVKEYARNKNIHYYF
MALKNDEIIDATQKGNCSRFMNHSCEPNCETQKWTVNGQLRVGFFTTKLV
PSGSELTFDYQFQRYGKEAQKCFCGSANCRGYLGG

3D structure

• PDB: 4fmu Sinefungin Derivatives as Inhibitors and Structure Probes of Protein Lysine Methyltransferase SETD2.
• Chain: A
• Resolution: 2.1 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): Y1579 Y1666
• Catalytic site (residue number reindexed from 1): Y123 Y210
• 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	C43 C45 C60 C64
BS02	ZN	A	C1516 C1529 C1533 C1539	C60 C73 C77 C83
BS03	ZN	A	C1631 C1678 C1680 C1685	C175 C222 C224 C229
BS04	0UM	A	K1560 G1561 W1562 Y1579 H1603 Y1604 Y1605 R1625 F1626 M1627 N1628 H1629 F1664 Y1666 Q1676 C1678 F1679 L1689	K104 G105 W106 Y123 H147 Y148 Y149 R169 F170 M171 N172 H173 F208 Y210 Q220 C222 F223 L233	MOAD: Kd=360nM PDBbind-CN: -logKd/Ki=6.44,Kd=360nM BindingDB: IC50=800nM

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:4fmu, PDBe:4fmu, PDBj:4fmu
• PDBsum: 4fmu
• PubMed: 23043551
• UniProt: Q9BYW2|SETD2_HUMAN Histone-lysine N-methyltransferase SETD2 (Gene Name=SETD2)