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MolNFT v1 · #144549 · protein

Structure of histone H3K4 methyltransferase

6BX3 · Histone-lysine N-methyltransferase, H3 lysine-4 specific: “Structure of histone H3K4 methyltransferase”. Electron microscopy, 20 pockets (best druggability 0.80). MolNFT v1 #144549 on GenesisL1: 3D structure, binding sites and…

PDB
6BX3
Type
protein
Length
1,413 residues
Chains
7
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Histone-lysine N-methyltransferase, H3 lysine-4 specific; Compass component BRE2; Compass…
EC
2.1.1.43
UniProt
A6ZT27, P43132, Q03323, Q03012, P39706, P38123
Pockets
20 · best druggability 0.80

Structure

electron microscopy · 7 distinct chains · 17% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
EHistone-lysine N-methyltransferase, H3 lysine-4 specific (EC 2.1.1.43)protein19223% helix, 8% strandA6ZT27
KCompass component BRE2protein21115% helix, 10% strandP43132
MCompass component SDC1protein4245% helix, 0% strandQ03323
NCompass component SDC1protein4058% helix, 0% strandQ03323
FCompass component SPP1protein21555% helix, 0% strandQ03012
BCompass component SWD1protein3990% helix, 23% strandP39706
ACompass component SWD3protein3140% helix, 25% strandP38123

Pockets

20 pockets found on a 1 Å grid, 17 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16580.800.8463empty
21310.790.9627empty
310170.780.8074empty
43220.780.8953empty
51610.710.9036empty

Interfaces

11 interfaces between chains.

  • B–A · 1838 Ų buried · 17 hydrogen bonds · protein-protein
  • E–A · 1550 Ų buried · 12 hydrogen bonds · protein-protein
  • E–B · 1195 Ų buried · 10 hydrogen bonds · protein-protein
  • F–B · 921 Ų buried · 9 hydrogen bonds · protein-protein
  • M–N · 877 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 6BX3 · Structure of histone H3k4 methyltransferase · the same entry in another collection · chain A against A, TM-score 1.00
  • P38123 · AlphaFold monomer V2.0 prediction for compass component SWD3 (P38123) · a predicted model of the same protein · chain A against A, TM-score 0.92
  • P39706 · AlphaFold monomer V2.0 prediction for compass component SWD1 (P39706) · a predicted model of the same protein · chain B against A, TM-score 0.90
  • P43132 · AlphaFold monomer V2.0 prediction for compass component BRE2 (P43132) · a predicted model of the same protein · chain K against A, TM-score 0.87
  • Q03323 · AlphaFold monomer V2.0 prediction for compass component SDC1 (Q03323) · a predicted model of the same protein · chain N against A, TM-score 0.74
  • Q03012 · AlphaFold monomer V2.0 prediction for compass component SPP1 (Q03012) · a predicted model of the same protein · chain F against A, TM-score 0.64

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