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MolNFT v1 · #184003 · protein

Crystal structure of human menin in complex with fragment 21

7OA9 · Isoform 2 of menin: “Crystal structure of human menin in complex with fragment 21”. X-ray diffraction, 1 ligand (V6K), 1 pocket (best druggability 0.66). MolNFT v1 #184003 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
7OA9
Type
protein
Length
456 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Isoform 2 of menin
UniProt
O00255
Ligands
V6K
Pockets
1 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 57% helix, 6% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AIsoform 2 of meninprotein45657% helix, 6% strandO00255

Ligands and binding sites

  • V6K · (~{E})-2-cyano-3-(4-hydroxyphenyl)-~{N}-(2-morpholin-4-ylethyl)prop-2-enamide · ligand · chains A
  • EDO · 1,2-ethanediol · additive · 7 copies · chains A
  • GOL · Glycerol · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15050.660.7757V6K, GOL

Compared structures

  • 7OA9 · Crystal structure of Human Menin in complex with Fragment 21 · 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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