MolNFT v1 · #152899 · protein
The structure of lepi complex with SAM
6IX3 · O-methyltransferase lepi: “The structure of lepi complex with SAM”. X-ray diffraction, 2 ligands (SAM, CL), 8 pockets (best druggability 0.86). MolNFT v1 #152899 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6IX3
- Type
- protein
- Length
- 777 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- O-methyltransferase lepi
- EC
- 2.1.1.-
- UniProt
- B8NJH3
- Ligands
- SAM, CL
- Pockets
- 8 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 53% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | O-methyltransferase lepi (EC 2.1.1.-) | protein | 389 | 54% helix, 13% strand | B8NJH3 |
| B | O-methyltransferase lepi (EC 2.1.1.-) | protein | 388 | 53% helix, 13% strand | B8NJH3 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1175 | 0.86 | 0.86 | 93 | SAM |
| 2 | 1166 | 0.85 | 0.86 | 101 | SAM |
| 3 | 99 | 0.60 | 0.87 | 17 | empty |
| 4 | 207 | 0.57 | 0.80 | 26 | empty |
| 5 | 166 | 0.52 | 0.79 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 5163 Ų buried · 47 hydrogen bonds · protein-protein
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 B8NJH3
- Elsewhere: RCSB PDB 6IX3 · PDBe 6IX3 · UniProt B8NJH3
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