MolNFT v1 · #79362 · protein
Structure of the phyr anti-anti-sigma domain bound to the anti-sigma factor, nepr
3T0Y · Response regulator: “Structure of the phyr anti-anti-sigma domain bound to the anti-sigma factor, nepr”. X-ray diffraction, 4 pockets (best druggability 0.54). MolNFT v1 #79362 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 3T0Y
- Type
- protein
- Length
- 319 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Response regulator; Nepr
- UniProt
- Q9A2S9, Q9A2T0
- Pockets
- 4 · best druggability 0.54
Structure
x-ray diffraction · 4 distinct chains · 74% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Response regulator | protein | 126 | 74% helix, 0% strand | Q9A2S9 |
| B | Nepr | protein | 33 | 67% helix, 0% strand | Q9A2T0 |
| C | Response regulator | protein | 128 | 78% helix, 0% strand | Q9A2S9 |
| D | Nepr | protein | 32 | 69% helix, 0% strand | Q9A2T0 |
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 152 | 0.54 | 0.80 | 16 | empty |
| 2 | 51 | 0.45 | 0.85 | 15 | empty |
| 3 | 56 | 0.43 | 0.82 | 12 | empty |
| 4 | 58 | 0.33 | 0.77 | 16 | empty |
Interfaces
5 interfaces between chains.
- A–C · 1908 Ų buried · 28 hydrogen bonds · protein-protein
- C–D · 862 Ų buried · 1 hydrogen bond · protein-protein
- A–B · 832 Ų buried · 0 hydrogen bonds · protein-protein
- A–D · 377 Ų buried · 3 hydrogen bonds · protein-protein
- B–C · 349 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified (engineered).
Compared structures
- 3T0Y · Structure of the PhyR anti-anti-sigma domain bound to the anti-sigma factor, NepR · 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 Q9A2S9
- Every structure of UniProt Q9A2T0
- Elsewhere: RCSB PDB 3T0Y · PDBe 3T0Y · UniProt Q9A2S9 · UniProt Q9A2T0
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