MolNFT v1 · #155257 · protein
Product bound bacf structure from bacillus subtillis
6L1O · Aminotransferase: “Product bound bacf structure from bacillus subtillis”. X-ray diffraction, 3 ligands (TYR, PMP, PLP), 10 pockets (best druggability 0.83). MolNFT v1 #155257 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6L1O
- Type
- protein
- Length
- 785 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aminotransferase
- EC
- 2.6.1.-
- UniProt
- A0A164UM01
- Ligands
- TYR, PMP, PLP
- Pockets
- 10 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Aminotransferase (EC 2.6.1.-) | protein | 392 | 47% helix, 15% strand | A0A164UM01 |
| A | Aminotransferase (EC 2.6.1.-) | protein | 393 | 46% helix, 15% strand | A0A164UM01 |
Ligands and binding sites
- TYR · Tyrosine · ligand · chains B, A
- PMP · 4'-deoxy-4'-aminopyridoxal-5'-phosphate · ligand · chains B, A
- PLP · Pyridoxal-5'-phosphate · ligand · chains B, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 209 | 0.83 | 0.97 | 39 | empty |
| 2 | 589 | 0.79 | 0.85 | 70 | PLP |
| 3 | 122 | 0.78 | 0.96 | 29 | TYR, PMP |
| 4 | 71 | 0.59 | 0.90 | 22 | empty |
| 5 | 91 | 0.51 | 0.83 | 23 | empty |
Interfaces
1 interface between chains.
- B–A · 3097 Ų buried · 38 hydrogen bonds · protein-protein
Compared structures
- 6L1O · Product bound BacF structure from Bacillus subtillis · 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 A0A164UM01
- Elsewhere: RCSB PDB 6L1O · PDBe 6L1O · UniProt A0A164UM01
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