MolNFT v1 · #120714 · protein
Crystal structure of the complex between maize sulfite reductase and ferredoxin in the form-3 crystal
5H92 · Sulfite reductase [ferredoxin], chloroplastic: “Crystal structure of the complex between maize sulfite reductase and ferredoxin in the form-3 crystal”. X-ray diffraction, 5 ligands (SF4, SRM, FES), 11 pockets (best druggability…
- PDB
- 5H92
- Type
- protein
- Length
- 1,235 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sulfite reductase [ferredoxin], chloroplastic; Ferredoxin-1, chloroplastic
- EC
- 1.8.7.1
- UniProt
- O23813, P27787
- Ligands
- SF4, SRM, FES, MG, PO4
- Pockets
- 11 · best druggability 0.84
Structure
x-ray diffraction · 3 distinct chains · 37% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sulfite reductase [ferredoxin], chloroplastic (EC 1.8.7.1) | protein | 567 | 39% helix, 19% strand | O23813 |
| B | Sulfite reductase [ferredoxin], chloroplastic (EC 1.8.7.1) | protein | 572 | 38% helix, 18% strand | O23813 |
| C | Ferredoxin-1, chloroplastic | protein | 96 | 17% helix, 32% strand | P27787 |
Ligands and binding sites
- SF4 · Iron/sulfur cluster · ligand · 2 copies · chains A, B
- SRM · Siroheme · ligand · 2 copies · chains A, B
- FES · Fe2/s2 (inorganic) cluster · ligand · chains C
- MG · Magnesium ion · metal · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1006 | 0.84 | 0.85 | 111 | SF4, SRM, PO4 |
| 2 | 624 | 0.80 | 0.85 | 76 | SF4, SRM, PO4 |
| 3 | 746 | 0.68 | 0.75 | 87 | empty |
| 4 | 469 | 0.62 | 0.76 | 41 | empty |
| 5 | 425 | 0.60 | 0.76 | 39 | empty |
Interfaces
2 interfaces between chains.
- A–B · 810 Ų buried · 11 hydrogen bonds · protein-protein
- A–C · 616 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 5H92 · Crystal structure of the complex between maize Sulfite Reductase and ferredoxin in the… · the same entry in another collection · chain A against A, TM-score 1.00
- O23813 · AlphaFold monomer V2.0 prediction for sulfite reductase [ferredoxin], chloroplastic… · a predicted model of the same protein · chain A against A, TM-score 1.00
- P27787 · AlphaFold monomer V2.0 prediction for ferredoxin-1, chloroplastic (P27787) · a predicted model of the same protein · chain C against A, TM-score 0.99
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 O23813
- Every structure of UniProt P27787
- Elsewhere: RCSB PDB 5H92 · PDBe 5H92 · UniProt O23813 · UniProt P27787
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