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MolNFT v1 · #168108 · protein + DNA

Cryo-EM structure of MLL1 in complex with RBBP5, WDR5, SET1, and ASH2L bound to the nucleosome (CLASS02)

6W5M · Retinoblastoma-binding protein 5: “Cryo-EM structure of MLL1 in complex with RBBP5, WDR5, SET1, and ASH2L bound to the nucleosome (CLASS02)”. Electron microscopy, 20 pockets (best druggability 0.85). MolNFT v1 #168108 on GenesisL1…

PDB
6W5M
Type
protein + DNA
Length
2,021 residues
Chains
14
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Retinoblastoma-binding protein 5; Wd repeat-containing protein 5; Histone-lysine…
EC
2.1.1.354
UniProt
Q15291, P61964, Q03164, Q9UBL3, P84233, P62799, P06897, P02281
Pockets
20 · best druggability 0.85

Structure

electron microscopy · 10 distinct chains · 23% helix, 34% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARetinoblastoma-binding protein 5protein3062% helix, 50% strandQ15291
BWd repeat-containing protein 5protein2980% helix, 52% strandP61964
CHistone-lysine N-methyltransferase 2A (EC 2.1.1.354)protein14822% helix, 38% strandQ03164
DSET1/ASH2 histone methyltransferase complex subunit ASH2protein21712% helix, 35% strandQ9UBL3
G, KHistone H3.2protein9866% helix, 3% strandP84233
H, LHistone H4protein8257% helix, 5% strandP62799
I, MHistone H2A type 1protein10755% helix, 4% strandP06897
J, NHistone H2B 1.1protein9373% helix, 4% strandP02281
ODNA (147-mer)dna146——
PDNA (147-mer)dna146——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16680.850.8986empty
28110.850.88122empty
39070.820.8461empty
42620.790.9147empty
56820.760.8159empty

Interfaces

44 interfaces between chains.

  • O–P · 6483 Ų buried · 795 hydrogen bonds · nucleic-nucleic
  • M–N · 2417 Ų buried · 29 hydrogen bonds · protein-protein
  • I–J · 2313 Ų buried · 17 hydrogen bonds · protein-protein
  • G–H · 2292 Ų buried · 29 hydrogen bonds · protein-protein
  • K–L · 2289 Ų buried · 29 hydrogen bonds · protein-protein

Compared structures

  • 6W5M · Cryo-EM structure of MLL1 in complex with RbBP5, WDR5, SET1, and ASH2L bound to the… · the same entry in another collection · chain P against P, TM-score 1.00

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