MolNFT v1 · #111690 · protein
Crystal structure of trimethylamine methyltransferase from sinorhizobium meliloti in complex with unknown ligand
4YYC · Putative trimethylamine methyltransferase: “Crystal structure of trimethylamine methyltransferase from sinorhizobium meliloti in complex with unknown…”. X-ray diffraction, 2 ligands (UNL, CL), 2 pockets (best druggability 0.55).…
- PDB
- 4YYC
- Type
- protein
- Length
- 479 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative trimethylamine methyltransferase
- UniProt
- Q92P20
- Ligands
- UNL, CL
- Pockets
- 2 · best druggability 0.55
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative trimethylamine methyltransferase | protein | 479 | 46% helix, 15% strand | Q92P20 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 213 | 0.55 | 0.78 | 36 | UNL |
| 2 | 91 | 0.38 | 0.76 | 20 | empty |
Modifications
Observed in the structure: 15 modified (engineered).
Compared structures
- 4YYC · Crystal structure of trimethylamine methyltransferase from Sinorhizobium meliloti in… · the same entry in another collection · 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 Q92P20
- Elsewhere: RCSB PDB 4YYC · PDBe 4YYC · UniProt Q92P20
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