MolNFT v1 · #102251 · protein
Human menin with bound inhibitor miv-6R
4OG8: “Human menin with bound inhibitor miv-6R”. X-ray diffraction, 4 ligands (TBF, 2SF, PGA), 3 pockets (best druggability 0.63). MolNFT v1 #102251 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4OG8
- Type
- protein
- Length
- 469 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Menin
- UniProt
- O00255
- Ligands
- TBF, 2SF, PGA, SO4
- Pockets
- 3 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 58% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Menin | protein | 469 | 58% helix, 6% strand | O00255 |
Ligands and binding sites
- TBF · Tert-butyl formate · ligand · 2 copies · chains A
- 2SF · 4-(3-{4-[(R)-amino(cyclopentyl)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile · ligand · chains A
- PGA · 2-phosphoglycolic acid · ligand · chains A
- SO4 · Sulfate ion · ion · 3 copies · chains A
- DMS · Dimethyl sulfoxide · additive · 3 copies · chains A
- PG4 · Tetraethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 507 | 0.63 | 0.76 | 57 | TBF, 2SF |
| 2 | 81 | 0.37 | 0.77 | 21 | empty |
| 3 | 50 | 0.33 | 0.78 | 15 | empty |
Compared structures
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt O00255
- Elsewhere: RCSB PDB 4OG8 · PDBe 4OG8 · UniProt O00255
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