Research workbench
DosS GAFA Domain Reduced CO Bound Crystal Structure
Analyse DosS GAFA Domain Reduced CO Bound Crystal Structure in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4YNR
- Type
- protein
- Length
- 283 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.92
- Source
- Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)
- Molecule
- Redox sensor histidine kinase response regulator DevS
- EC
- 2.7.13.3
- UniProt
- P9WGK2
- Ligands
- HEM, CMO
- Pockets
- 3 · best druggability 0.77
Structure
x-ray diffraction · resolution 1.92 · 2 distinct chains · 39% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Redox sensor histidine kinase response regulator DevS (EC 2.7.13.3) | protein | 140 | 39% helix, 24% strand | P9WGK2 |
| B | Redox sensor histidine kinase response regulator DevS (EC 2.7.13.3) | protein | 143 | 38% helix, 25% strand | P9WGK2 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- CMO · Carbon monoxide · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 310 | 0.77 | 0.88 | 33 | HEM, CMO |
| 2 | 278 | 0.77 | 0.88 | 33 | HEM, CMO |
| 3 | 74 | 0.33 | 0.75 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 681 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 4YNR · Doss gafa domain reduced co bound crystal structure · the same entry in another collection · chain A against A, TM-score 1.00
- P9WGK2 · AlphaFold monomer V2.0 prediction for oxygen sensor histidine kinase response regulator… · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P9WGK2
- Elsewhere: RCSB PDB 4YNR · PDBe 4YNR · UniProt P9WGK2
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