MolNFT v1 · #127605 · protein
Unliganded form of the mycobacterium tuberculosis repressor ETHR2
5N1I · Probable transcriptional regulatory protein: “Unliganded form of the mycobacterium tuberculosis repressor ETHR2”. X-ray diffraction, 2 pockets (best druggability 0.86). MolNFT v1 #127605 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5N1I
- Type
- protein
- Length
- 378 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable transcriptional regulatory protein
- UniProt
- O53623
- Pockets
- 2 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 83% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Probable transcriptional regulatory protein | protein | 190 | 83% helix, 0% strand | O53623 |
| B | Probable transcriptional regulatory protein | protein | 188 | 84% helix, 1% strand | O53623 |
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 305 | 0.86 | 0.96 | 50 | empty |
| 2 | 139 | 0.81 | 0.97 | 31 | empty |
Interfaces
1 interface between chains.
- A–B · 1464 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 5N1I · unliganded form of the Mycobacterium tuberculosis repressor EthR2 · 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 O53623
- Elsewhere: RCSB PDB 5N1I · PDBe 5N1I · UniProt O53623
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