MolNFT v1 · #155256 · protein
Substrate bound bacf structure from bacillus subtillis
6L1N · Aminotransferase: “Substrate bound bacf structure from bacillus subtillis”. X-ray diffraction, 2 ligands (GLY, PLP), 10 pockets (best druggability 0.82). MolNFT v1 #155256 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6L1N
- Type
- protein
- Length
- 786 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aminotransferase
- EC
- 2.6.1.-
- UniProt
- A0A164UM01
- Ligands
- GLY, PLP
- Pockets
- 10 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aminotransferase (EC 2.6.1.-) | protein | 393 | 46% helix, 15% strand | A0A164UM01 |
| B | Aminotransferase (EC 2.6.1.-) | protein | 393 | 48% helix, 14% strand | A0A164UM01 |
Ligands and binding sites
- GLY · Glycine · ligand · 2 copies · chains A, B
- PLP · Pyridoxal-5'-phosphate · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 167 | 0.82 | 0.97 | 40 | empty |
| 2 | 214 | 0.75 | 0.90 | 46 | GLY, PLP |
| 3 | 183 | 0.74 | 0.91 | 45 | PLP, GLY |
| 4 | 203 | 0.49 | 0.76 | 31 | empty |
| 5 | 234 | 0.47 | 0.74 | 31 | empty |
Interfaces
1 interface between chains.
- A–B · 3123 Ų buried · 38 hydrogen bonds · protein-protein
Compared structures
- 6L1N · Substrate bound BacF structure from Bacillus subtillis · 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 A0A164UM01
- Elsewhere: RCSB PDB 6L1N · PDBe 6L1N · UniProt A0A164UM01
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