MolNFT v1 · #152624 · protein
A pericyclic reaction enzyme
6INW · O-methyltransferase lepi: “A pericyclic reaction enzyme”. X-ray diffraction, 1 ligand (SAM), 7 pockets (best druggability 0.85). MolNFT v1 #152624 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6INW
- Type
- protein
- Length
- 778 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
- Pockets
- 7 · best druggability 0.85
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 | 388 | 53% helix, 13% strand | B8NJH3 |
| B | O-methyltransferase lepi (EC 2.1.1.-) | protein | 390 | 53% helix, 13% strand | B8NJH3 |
Ligands and binding sites
- SAM · S-adenosylmethionine · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1140 | 0.85 | 0.86 | 93 | SAM |
| 2 | 1126 | 0.85 | 0.86 | 90 | SAM |
| 3 | 206 | 0.58 | 0.80 | 22 | empty |
| 4 | 197 | 0.56 | 0.79 | 24 | empty |
| 5 | 95 | 0.49 | 0.82 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 5190 Ų buried · 50 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 26 modified (engineered).
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 6INW · PDBe 6INW · UniProt B8NJH3
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