MolNFT v1 · #144383 · protein
The crystal structure of the ferredoxin protease fusc in complex with arabidopsis ferredoxin, ethylmercury phosphate soaked dataset
6BRS · Putative zinc protease: “The crystal structure of the ferredoxin protease fusc in complex with arabidopsis ferredoxin, ethylmercury…”. X-ray diffraction, 2 ligands (HG, PO4), 9 pockets (best druggability 0.82). MolNFT v1 #144383 on…
- PDB
- 6BRS
- Type
- protein
- Length
- 948 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative zinc protease; Ferredoxin-2, chloroplastic; Unidentified ferredoxin peptide
- UniProt
- Q6D8U3, P16972
- Ligands
- HG, PO4
- Pockets
- 9 · best druggability 0.82
Structure
x-ray diffraction · 4 distinct chains · 44% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative zinc protease | protein | 896 | 46% helix, 20% strand | Q6D8U3 |
| F | Ferredoxin-2, chloroplastic | protein | 41 | 20% helix, 34% strand | P16972 |
| C | Ferredoxin-2, chloroplastic | protein | 7 | 0% helix, 0% strand | P16972 |
| E | Unidentified ferredoxin peptide | protein | 4 | 0% helix, 0% strand | — |
Ligands and binding sites
- HG · Mercury (II) ion · metal · 5 copies · chains A
- PO4 · Phosphate ion · ion · 3 copies · chains A, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 872 | 0.82 | 0.85 | 97 | PO4 |
| 2 | 300 | 0.58 | 0.77 | 34 | empty |
| 3 | 115 | 0.56 | 0.84 | 29 | empty |
| 4 | 173 | 0.53 | 0.79 | 27 | empty |
| 5 | 248 | 0.52 | 0.75 | 34 | HG |
Interfaces
3 interfaces between chains.
- A–F · 776 Ų buried · 16 hydrogen bonds · protein-protein
- A–C · 388 Ų buried · 3 hydrogen bonds · protein-protein
- A–E · 263 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 6BRS · The Crystal Structure of the Ferredoxin Protease FusC in complex with Arabidopsis… · the same entry in another collection · chain A against A, TM-score 1.00
- P16972 · AlphaFold monomer V2.0 prediction for ferredoxin-2, chloroplastic (P16972) · a predicted model of the same protein · chain F against A, TM-score 0.88
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 Q6D8U3
- Every structure of UniProt P16972
- Elsewhere: RCSB PDB 6BRS · PDBe 6BRS · UniProt Q6D8U3 · UniProt P16972
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