Research workbench
Cyanide bound structure of the first gaf domain of mycobacterium tuberculosis doss
Analyse Cyanide bound structure of the first gaf domain of mycobacterium tuberculosis… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2W3H
- Type
- protein
- Length
- 291 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Two component sensor histidine kinase devs (gaf family protein)
- EC
- 2.7.3.-
- UniProt
- P95194
- Ligands
- HEM, CA, CYN
- Pockets
- 4 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Two component sensor histidine kinase devs (gaf family protein) (EC 2.7.3.-) | protein | 147 | 38% helix, 24% strand | P95194 |
| B | Two component sensor histidine kinase devs (gaf family protein) (EC 2.7.3.-) | protein | 144 | 38% helix, 25% strand | P95194 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- CA · Calcium ion · metal · chains A
- 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
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 345 | 0.78 | 0.88 | 36 | HEM, CYN |
| 2 | 362 | 0.78 | 0.87 | 41 | HEM, CYN |
| 3 | 81 | 0.34 | 0.75 | 16 | empty |
| 4 | 65 | 0.31 | 0.74 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 770 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 2W3H · Cyanide bound structure of the first GAF domain of Mycobacterium tuberculosis DosS · 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 P95194
- Elsewhere: RCSB PDB 2W3H · PDBe 2W3H · UniProt P95194
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.