MolNFT v1 · #55064 · protein
Structure of the first gaf domain E87G mutant of mycobacterium tuberculosis doss
2Y8H · Two component sensor histidine kinase devs: “Structure of the first gaf domain E87G mutant of mycobacterium tuberculosis doss”. X-ray diffraction, 2 ligands (HEM, CA), 5 pockets (best druggability 0.78). MolNFT v1 #55064 on…
- PDB
- 2Y8H
- Type
- protein
- Length
- 300 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Two component sensor histidine kinase devs
- EC
- 2.7.3.-
- UniProt
- A5U7E7
- Ligands
- HEM, CA
- Pockets
- 5 · 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 (EC 2.7.3.-) | protein | 152 | 36% helix, 25% strand | A5U7E7 |
| B | Two component sensor histidine kinase devs (EC 2.7.3.-) | protein | 148 | 41% helix, 26% strand | A5U7E7 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- CA · Calcium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 389 | 0.78 | 0.87 | 44 | HEM |
| 2 | 302 | 0.77 | 0.88 | 32 | HEM |
| 3 | 84 | 0.40 | 0.78 | 18 | empty |
| 4 | 89 | 0.35 | 0.75 | 19 | empty |
| 5 | 55 | 0.29 | 0.74 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 780 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 2Y8H · Structure of the first gaf domain E87G mutant of mycobacterium tuberculosis doss · the same entry in another collection · chain B against B, 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 A5U7E7
- Elsewhere: RCSB PDB 2Y8H · PDBe 2Y8H · UniProt A5U7E7
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