MolNFT v1 · #72389 · protein
The crystal structure of the P-loop NTPase domain of the sigma-54 transport activator from E. COLI to 2.8A
3N70: “The crystal structure of the P-loop NTPase domain of the sigma-54 transport activator from E. COLI to 2.8A”. X-ray diffraction, 1 ligand (SO4), 14 pockets (best druggability 0.85). MolNFT v1 #72389 on GenesisL1: 3D structure…
- PDB
- 3N70
- Type
- protein
- Length
- 990 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transport activator
- UniProt
- Q8FAN8
- Ligands
- SO4
- Pockets
- 14 · best druggability 0.85
Structure
x-ray diffraction · 8 distinct chains · 45% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transport activator | protein | 142 | 44% helix, 14% strand | Q8FAN8 |
| B | Transport activator | protein | 108 | 46% helix, 10% strand | Q8FAN8 |
| C | Transport activator | protein | 132 | 48% helix, 17% strand | Q8FAN8 |
| D | Transport activator | protein | 116 | 41% helix, 17% strand | Q8FAN8 |
| E | Transport activator | protein | 137 | 47% helix, 15% strand | Q8FAN8 |
| F | Transport activator | protein | 105 | 46% helix, 10% strand | Q8FAN8 |
| G | Transport activator | protein | 128 | 42% helix, 16% strand | Q8FAN8 |
| H | Transport activator | protein | 122 | 45% helix, 14% strand | Q8FAN8 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 8 copies · chains A, B, C, D, E, F, G, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 849 | 0.85 | 0.87 | 106 | SO4 |
| 2 | 107 | 0.78 | 0.97 | 22 | empty |
| 3 | 207 | 0.73 | 0.89 | 30 | empty |
| 4 | 50 | 0.72 | 0.99 | 17 | empty |
| 5 | 175 | 0.71 | 0.89 | 28 | empty |
Interfaces
10 interfaces between chains.
- E–F · 444 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 438 Ų buried · 8 hydrogen bonds · protein-protein
- A–D · 390 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 385 Ų buried · 4 hydrogen bonds · protein-protein
- F–G · 363 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 15 modified (engineered).
Compared structures
- 3N70 · The Crystal Structure of the P-loop NTPase domain of the Sigma-54 transport activator… · 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 Q8FAN8
- Elsewhere: RCSB PDB 3N70 · PDBe 3N70 · UniProt Q8FAN8
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.