MolNFT v1 · #143588 · protein
Menin bound to M-525
6B41: “Menin bound to M-525”. X-ray diffraction, 2 ligands (7PR, CJV), 6 pockets (best druggability 0.69). MolNFT v1 #143588 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6B41
- Type
- protein
- Length
- 481 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Menin
- UniProt
- O00255
- Ligands
- 7PR, CJV
- Pockets
- 6 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 54% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Menin | protein | 481 | 54% helix, 6% strand | O00255 |
Ligands and binding sites
- 7PR · praseodymium triacetate · ligand · 4 copies · chains A
- CJV · Methyl {(1S,2R)-2-[(S)-cyano[1-({1-[4-({1-[4-(dimethylamino)butanoyl]azetidin-3-yl}sulfonyl) phenyl]azetidin-3-yl}methyl)piperidin-4-yl](3-fluorophenyl)methyl]cyclopentyl}carbamate · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 656 | 0.69 | 0.77 | 59 | CJV |
| 2 | 95 | 0.39 | 0.77 | 28 | empty |
| 3 | 55 | 0.38 | 0.80 | 15 | empty |
| 4 | 55 | 0.34 | 0.78 | 15 | empty |
| 5 | 70 | 0.32 | 0.75 | 17 | empty |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
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 6B41 · PDBe 6B41 · UniProt O00255
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