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MolNFT v1 · #80808 · protein

Crystal structure of human menin in complex with MLL1

3U85: “Crystal structure of human menin in complex with MLL1”. X-ray diffraction, 5 pockets (best druggability 0.67). MolNFT v1 #80808 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3U85
Type
protein
Length
493 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Menin; Histone-lysine N-methyltransferase 2A
EC
2.1.1.43
UniProt
O00255, Q03164
Pockets
5 · best druggability 0.67

Structure

x-ray diffraction · 2 distinct chains · 52% helix, 7% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMeninprotein48453% helix, 7% strandO00255
BHistone-lysine N-methyltransferase 2A (EC 2.1.1.43)protein90% helix, 0% strandQ03164

Pockets

5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14540.670.7949empty
21690.530.7919empty
3720.400.7917empty
4680.350.7717empty
5590.270.7416empty

Interfaces

1 interface between chains.

  • A–B · 758 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

  • 3U85 · Crystal structure of human menin in complex with MLL1 · the same entry in another collection · chain A against A, TM-score 1.00
  • O00255 · AlphaFold monomer V2.0 prediction for menin (O00255) · a predicted model of the same protein · chain A against A, TM-score 0.99

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