MolNFT v1 · #37930 · protein
Crystal structure of the putative SAM-dependent methyltransferase BC2162 from bacillus cereus, northeast structural genomics target BCR20.
2GH1: “Crystal structure of the putative SAM-dependent methyltransferase BC2162 from bacillus cereus, northeast…”. X-ray diffraction, 7 pockets (best druggability 0.62). MolNFT v1 #37930 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2GH1
- Type
- protein
- Length
- 562 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Methyltransferase
- UniProt
- Q81E32
- Pockets
- 7 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Methyltransferase | protein | 281 | 43% helix, 20% strand | Q81E32 |
Ligands and binding sites
- ACT · Acetate ion · additive · 2 copies · chains A, B
- GOL · Glycerol · additive · 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, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 420 | 0.62 | 0.76 | 46 | empty |
| 2 | 334 | 0.58 | 0.76 | 36 | empty |
| 3 | 174 | 0.55 | 0.80 | 27 | empty |
| 4 | 261 | 0.55 | 0.77 | 30 | empty |
| 5 | 159 | 0.55 | 0.81 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 2021 Ų buried · 39 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified (engineered).
Compared structures
- 2GH1 · Crystal Structure of the putative SAM-dependent methyltransferase BC2162 from Bacillus… · the same entry in another collection · chain B against B, 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 Q81E32
- Elsewhere: RCSB PDB 2GH1 · PDBe 2GH1 · UniProt Q81E32
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.