Research workbench
Crystal structure of hemat sensor domain from B.SUBTILIS in the cyano-liganded form
Analyse Crystal structure of hemat sensor domain from B.SUBTILIS in the cyano-liganded… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1OR4
- Type
- protein
- Length
- 327 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heme-based aerotactic transducer hemat
- UniProt
- O07621
- Ligands
- HEM, CYN
- Pockets
- 5 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 79% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Heme-based aerotactic transducer hemat | protein | 169 | 76% helix, 2% strand | O07621 |
| B | Heme-based aerotactic transducer hemat | protein | 158 | 81% helix, 3% strand | O07621 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- CYN · Cyanide ion · ion · 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 | 294 | 0.76 | 0.88 | 29 | CYN, HEM |
| 2 | 308 | 0.75 | 0.87 | 32 | CYN, HEM |
| 3 | 67 | 0.74 | 0.99 | 17 | empty |
| 4 | 94 | 0.40 | 0.76 | 20 | empty |
| 5 | 53 | 0.31 | 0.76 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1920 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 1OR4 · Crystal Structure of HemAT sensor domain from B.subtilis in the cyano-liganded 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 B 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 O07621
- Elsewhere: RCSB PDB 1OR4 · PDBe 1OR4 · UniProt O07621
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