MolNFT v1 · #117287 · protein
The response regulator rsta is a potential drug target for acinetobacter baumannii
5E3J: “The response regulator rsta is a potential drug target for acinetobacter baumannii”. X-ray diffraction, 3 pockets (best druggability 0.52). MolNFT v1 #117287 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5E3J
- Type
- protein
- Length
- 240 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Response regulator rsta
- UniProt
- D0C9D6
- Pockets
- 3 · best druggability 0.52
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Response regulator rsta | protein | 120 | 44% helix, 19% strand | D0C9D6 |
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 228 | 0.52 | 0.76 | 28 | empty |
| 2 | 63 | 0.44 | 0.82 | 19 | empty |
| 3 | 53 | 0.41 | 0.81 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1092 Ų buried · 34 hydrogen bonds · protein-protein
Compared structures
- 5E3J · The response regulator RstA is a potential drug target for Acinetobacter baumannii · 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 D0C9D6
- Elsewhere: RCSB PDB 5E3J · PDBe 5E3J · UniProt D0C9D6
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