Research workbench
Structure of the first gaf domain E87G mutant of mycobacterium tuberculosis doss
Analyse Structure of the first gaf domain E87G mutant of mycobacterium tuberculosis doss in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- 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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