Structure of PDB 6vdb Chain A Binding Site BS05

Receptor Information

>6vdb Chain A (length=244) Species: 9606 (Homo sapiens)

CVMDDFRDPQRWKECAKQGKMPCYFDLIEENVYLTERMQCECTPLSKDER
AQGEIACGEDCLNRLLMIECSSRCPNGDYCSNRRFQRKQHADVEVILTEK
KGWGLRAAKDLPSNTFVLEYCGEVLDHKEFKARVKEYARNKNIHYYFMAL
KNDEIIDATQKGNCSRFMNHSCEPNCETQKWTVNGQLRVGFFTTKLVPSG
SELTFDYQFQRYGKEAQKCFCGSANCRGYLGGENRVSIRAAGGK

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 6vdb Chain A Residue 1923

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6vdb Sequence specificity analysis of the SETD2 protein lysine methyltransferase and discovery of a SETD2 super-substrate.
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): C1631 C1678 C1680 C1685
• Binding residue (residue number reindexed from 1): C172 C219 C221 C226
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): Y1579 Y1666
• Catalytic site (residue number reindexed from 1): Y120 Y207
• Enzyme Commision number: 2.1.1.-
  2.1.1.359: [histone H3]-lysine(36) N-trimethyltransferase.

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:6vdb, PDBe:6vdb, PDBj:6vdb
• PDBsum: 6vdb
• PubMed: 32939018
• UniProt: Q9BYW2|SETD2_HUMAN Histone-lysine N-methyltransferase SETD2 (Gene Name=SETD2)