MolNFT v1 · #152843 · protein
The crystal structure of a SAM-dependent enzyme from aspergillus flavus
6IV7 · Methyltransferase lepi: “The crystal structure of a SAM-dependent enzyme from aspergillus flavus”. X-ray diffraction, 1 ligand (SAH), 6 pockets (best druggability 0.87). MolNFT v1 #152843 on GenesisL1: 3D structure, binding sites…
- PDB
- 6IV7
- Type
- protein
- Length
- 772 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Methyltransferase lepi
- EC
- 2.1.1.-
- UniProt
- B8NJH3
- Ligands
- SAH
- Pockets
- 6 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Methyltransferase lepi (EC 2.1.1.-) | protein | 386 | 52% helix, 13% strand | B8NJH3 |
Ligands and binding sites
- SAH · S-adenosyl-L-homocysteine · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1141 | 0.87 | 0.87 | 91 | SAH |
| 2 | 1127 | 0.87 | 0.87 | 93 | SAH |
| 3 | 319 | 0.66 | 0.81 | 38 | empty |
| 4 | 99 | 0.55 | 0.85 | 17 | empty |
| 5 | 156 | 0.51 | 0.79 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 4996 Ų buried · 48 hydrogen bonds · protein-protein
Compared structures
- 6IV7 · The crystal structure of a SAM-dependent enzyme from aspergillus flavus · the same entry in another collection · chain A against A, TM-score 1.00
- B8NJH3 · AlphaFold monomer V2.0 prediction for O-methyltransferase lepi (B8NJH3) · a predicted model of the same protein · chain A against A, TM-score 1.00
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 6IV7 · PDBe 6IV7 · UniProt B8NJH3
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.