MolNFT v1 · #55024 · protein
Structure of the first gaf domain E87A mutant of mycobacterium tuberculosis doss
2Y79 · Redox sensor histidine kinase response regulator devs: “Structure of the first gaf domain E87A mutant of mycobacterium tuberculosis doss”. X-ray diffraction, 2 ligands (HEM, CA), 4 pockets (best druggability 0.78). MolNFT v1 #55024…
- PDB
- 2Y79
- Type
- protein
- Length
- 297 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Redox sensor histidine kinase response regulator devs
- EC
- 2.7.13.3
- UniProt
- P95194
- Ligands
- HEM, CA
- Pockets
- 4 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Redox sensor histidine kinase response regulator devs (EC 2.7.13.3) | protein | 150 | 39% helix, 25% strand | P95194 |
| B | Redox sensor histidine kinase response regulator devs (EC 2.7.13.3) | protein | 147 | 41% helix, 26% strand | P95194 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- CA · Calcium ion · metal · chains A
- GOL · Glycerol · additive · chains A
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 | 302 | 0.78 | 0.89 | 32 | HEM |
| 2 | 320 | 0.77 | 0.88 | 34 | HEM |
| 3 | 90 | 0.36 | 0.75 | 17 | empty |
| 4 | 55 | 0.34 | 0.77 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 900 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 2Y79 · Structure of the first gaf domain E87A mutant 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 2Y79 · PDBe 2Y79 · UniProt P95194
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