Structure of PDB 4ypa Chain B Binding Site BS02

Receptor Information

>4ypa Chain B (length=212) Species: 9606 (Homo sapiens)

YKKIRSNVYVDVKPLSGYEATTCNCKKPDDDTRKGCVDDCLNRMIFAECS
PNTCPCGEQCCNQRIQRHEWVQCLERFRAEEKGWGIRTKEPLKAGQFIIE
YLGEVVSEQEFRNRMIEQYHNHSDHYCLNLDSGMVIDSYRMGNEARFINH
SCDPNCEMQKWSVNGVYRIGLYALKDMPAGTELTYDYNFHSFNVEKAQLC
KCGFEKCRGIIG

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: 4ypa Chain B Residue 2302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4ypa Two Loops Undergoing Concerted Dynamics Regulate the Activity of the ASH1L Histone Methyltransferase.
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): C2104 C2117 C2122 C2128
• Binding residue (residue number reindexed from 1): C36 C49 C54 C60
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): Y2169 Y2255
• Catalytic site (residue number reindexed from 1): Y101 Y187
• Enzyme Commision number: 2.1.1.359: [histone H3]-lysine(36) N-trimethyltransferase.
  2.1.1.367: [histone H3]-lysine(9) N-methyltransferase.

Gene Ontology

Molecular Function

• GO:0042054 histone methyltransferase activity

Cellular Component

• GO:0005634 nucleus

External links

• PDB: RCSB:4ypa, PDBe:4ypa, PDBj:4ypa
• PDBsum: 4ypa
• PubMed: 26292256
• UniProt: Q9NR48|ASH1L_HUMAN Histone-lysine N-methyltransferase ASH1L (Gene Name=ASH1L)