MolNFT v1 · #110417 · protein
Mycf mycinamicin III 3'-O-methyltransferase in complex with sah
4XVY · Mycinamicin III 3''-O-methyltransferase: “Mycf mycinamicin III 3'-O-methyltransferase in complex with sah”. X-ray diffraction, 2 ligands (SAH, MG), 2 pockets (best druggability 0.75). MolNFT v1 #110417 on GenesisL1: 3D structure…
- PDB
- 4XVY
- Type
- protein
- Length
- 496 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mycinamicin III 3''-O-methyltransferase
- EC
- 2.1.1.237
- UniProt
- Q49492
- Ligands
- SAH, MG
- Pockets
- 2 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Mycinamicin III 3''-O-methyltransferase (EC 2.1.1.237) | protein | 248 | 40% helix, 15% strand | Q49492 |
Ligands and binding sites
- SAH · S-adenosyl-L-homocysteine · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 441 | 0.75 | 0.84 | 56 | MG, SAH |
| 2 | 433 | 0.74 | 0.84 | 61 | SAH |
Interfaces
1 interface between chains.
- A–B · 1090 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 4XVY · MycF mycinamicin III 3'-O-methyltransferase in complex with SAH · the same entry in another collection · chain A against A, TM-score 1.00
- Q49492 · AlphaFold monomer V2.0 prediction for mycinamicin III 3''-O-methyltransferase (Q49492) · 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 Q49492
- Elsewhere: RCSB PDB 4XVY · PDBe 4XVY · UniProt Q49492
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