Research workbench
Crystal Structure of HemAT sensor domain from B.subtilis in the unliganded form
Analyse Crystal Structure of HemAT sensor domain from B.subtilis in the unliganded form in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1OR6
- Type
- protein
- Length
- 324 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.71
- Source
- Bacillus subtilis
- Molecule
- Heme-based aerotactic transducer hemAT
- UniProt
- O07621
- Ligands
- HEM
- Pockets
- 5 · best druggability 0.76
Structure
x-ray diffraction · resolution 2.71 · 2 distinct chains · 77% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Heme-based aerotactic transducer hemAT | protein | 168 | 74% helix, 2% strand | O07621 |
| B | Heme-based aerotactic transducer hemAT | protein | 156 | 81% helix, 3% strand | O07621 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · 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 | 79 | 0.76 | 0.99 | 17 | empty |
| 2 | 337 | 0.74 | 0.85 | 32 | HEM |
| 3 | 340 | 0.74 | 0.85 | 33 | HEM |
| 4 | 74 | 0.40 | 0.78 | 12 | empty |
| 5 | 78 | 0.33 | 0.75 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1908 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 1OR6 · Crystal structure of hemat sensor domain from B.SUBTILIS in the unliganded form · the same entry in another collection · chain A against A, TM-score 1.00
- O07621 · AlphaFold monomer V2.0 prediction for heme-based aerotactic transducer hemat (O07621) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 O07621
- Elsewhere: RCSB PDB 1OR6 · PDBe 1OR6 · UniProt O07621
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