Structure of PDB 6box Chain A Binding Site BS03

Receptor Information

>6box Chain A (length=270) Species: 284812 (Schizosaccharomyces pombe 972h-)

DSYTHLSFYEKRELFRKKLREIEGPEVTLVNEVDDEPCPSLDFQFISQYR
LTQGVIPPDPNFQSGCNCSSLGGCDLNNPSRCECLDDLDEPTHFAYDAQG
RVRADTGAVIYECNSFCSCSMECPNRVVQRGRTLPLEIFKTKEKGWGVRS
LRFAPAGTFITCYLGEVITSAEAAKRTYLFDLDMFDEYTVDAQNYGDVSR
FFNHSCSPNIAIYSAVRNHGFRTIYDLAFFAIKDIQPLEELTFDYAGAKD
FSPLRRQCKCGSANCRGWLF

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: 6box Chain A Residue 503

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6box Automethylation-induced conformational switch in Clr4 (Suv39h) maintains epigenetic stability.
• Resolution: 2.412 Å
• Binding residue (original residue number in PDB): C307 C313 C317
• Binding residue (residue number reindexed from 1): C113 C119 C123
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.1.1.355: [histone H3]-lysine(9) N-trimethyltransferase.
  2.1.1.366: [histone H3]-N(6),N(6)-dimethyl-lysine(9) N-methyltransferase.
  2.1.1.367: [histone H3]-lysine(9) N-methyltransferase.

Gene Ontology

Molecular Function

• GO:0008270 zinc ion binding
• GO:0042054 histone methyltransferase activity
• GO:0046974 histone H3K9 methyltransferase activity

Cellular Component

• GO:0005634 nucleus

External links

• PDB: RCSB:6box, PDBe:6box, PDBj:6box
• PDBsum: 6box
• PubMed: 30051891
• UniProt: O60016|CLR4_SCHPO Histone-lysine N-methyltransferase, H3 lysine-9 specific (Gene Name=clr4)