Research workbench
Crystal structural analysis of the O-methyltransferase from bacillus cereus in complex sah
Analyse Crystal structural analysis of the O-methyltransferase from bacillus cereus in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3DUW
- Type
- protein
- Length
- 440 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- O-methyltransferase, putative
- EC
- 2.1.1.-
- UniProt
- Q739U3
- Ligands
- SAH
- Pockets
- 5 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | O-methyltransferase, putative (EC 2.1.1.-) | protein | 220 | 48% helix, 20% strand | Q739U3 |
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
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 55 | 0.68 | 0.96 | 24 | empty |
| 2 | 266 | 0.61 | 0.80 | 56 | SAH |
| 3 | 208 | 0.51 | 0.77 | 35 | SAH |
| 4 | 114 | 0.40 | 0.75 | 17 | empty |
| 5 | 103 | 0.39 | 0.75 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 1958 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (engineered).
Compared structures
- 3DUW · Crystal Structural Analysis of the O-methyltransferase from Bacillus cereus in complex SAH · 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 Q739U3
- Elsewhere: RCSB PDB 3DUW · PDBe 3DUW · UniProt Q739U3
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