Research workbench
Crystal structure of a novel thermostable (S)-enantioselective omega- transaminase from thermomicrobium roseum
Analyse Crystal structure of a novel thermostable (S)-enantioselective omega… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6IO1
- Type
- protein
- Length
- 895 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aminotransferase, class III
- UniProt
- B9L0K9
- Ligands
- PMP
- Pockets
- 6 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aminotransferase, class III | protein | 447 | 44% helix, 19% strand | B9L0K9 |
| B | Aminotransferase, class III | protein | 448 | 46% helix, 19% strand | B9L0K9 |
Ligands and binding sites
- PMP · 4'-deoxy-4'-aminopyridoxal-5'-phosphate · ligand · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 704 | 0.77 | 0.82 | 87 | PMP |
| 2 | 669 | 0.76 | 0.82 | 85 | empty |
| 3 | 129 | 0.43 | 0.76 | 17 | empty |
| 4 | 83 | 0.34 | 0.74 | 14 | empty |
| 5 | 83 | 0.33 | 0.74 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 5821 Ų buried · 71 hydrogen bonds · protein-protein
Compared structures
- 6IO1 · Crystal structure of a novel thermostable (S)-enantioselective omega-transaminase from… · 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 B9L0K9
- Elsewhere: RCSB PDB 6IO1 · PDBe 6IO1 · UniProt B9L0K9
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