MolNFT v1 · #151594 · protein
Structure of dithionite-reduced rsrr in spacegroup P2(1)
6HSE · RRF2 family transcriptional regulator: “Structure of dithionite-reduced rsrr in spacegroup P2(1)”. X-ray diffraction, 3 ligands (FES, SO4, SO3), 6 pockets (best druggability 0.74). MolNFT v1 #151594 on GenesisL1: 3D structure…
- PDB
- 6HSE
- Type
- protein
- Length
- 638 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- RRF2 family transcriptional regulator
- UniProt
- F2RGC9
- Ligands
- FES, SO4, SO3
- Pockets
- 6 · best druggability 0.74
Structure
x-ray diffraction · 4 distinct chains · 56% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | RRF2 family transcriptional regulator | protein | 161 | 54% helix, 7% strand | F2RGC9 |
| C | RRF2 family transcriptional regulator | protein | 159 | 57% helix, 7% strand | F2RGC9 |
| B | RRF2 family transcriptional regulator | protein | 158 | 59% helix, 7% strand | F2RGC9 |
| D | RRF2 family transcriptional regulator | protein | 160 | 56% helix, 7% strand | F2RGC9 |
Ligands and binding sites
- FES · Fe2/s2 (inorganic) cluster · ligand · 4 copies · chains A, C, B, D
- SO4 · Sulfate ion · ion · 2 copies · chains A, D
- SO3 · Sulfite ion · ion · chains A
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 214 | 0.74 | 0.89 | 28 | empty |
| 2 | 226 | 0.72 | 0.87 | 29 | empty |
| 3 | 204 | 0.71 | 0.87 | 25 | empty |
| 4 | 271 | 0.67 | 0.83 | 29 | empty |
| 5 | 297 | 0.52 | 0.74 | 34 | empty |
Interfaces
5 interfaces between chains.
- A–C · 2426 Ų buried · 26 hydrogen bonds · protein-protein
- B–D · 2342 Ų buried · 24 hydrogen bonds · protein-protein
- C–D · 306 Ų buried · 4 hydrogen bonds · protein-protein
- C–B · 26 Ų buried · 0 hydrogen bonds · protein-protein
- A–B · 15 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6HSE · Structure of dithionite-reduced RsrR in spacegroup P2(1) · 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 F2RGC9
- Elsewhere: RCSB PDB 6HSE · PDBe 6HSE · UniProt F2RGC9
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