MolNFT v1 · #174684 · protein
Ferredoxin reductase in carbazole 1,9A-dioxygenase
7C3A · Ferredoxin reductase component of carbazole: “Ferredoxin reductase in carbazole 1,9A-dioxygenase”. X-ray diffraction, 5 ligands (FAD, FES, NI), 14 pockets (best druggability 0.81). MolNFT v1 #174684 on GenesisL1: 3D structure…
- PDB
- 7C3A
- Type
- protein
- Length
- 982 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ferredoxin reductase component of carbazole
- UniProt
- Q84II0
- Ligands
- FAD, FES, NI, CL, IOD
- Pockets
- 14 · best druggability 0.81
Structure
x-ray diffraction · 3 distinct chains · 22% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ferredoxin reductase component of carbazole | protein | 321 | 21% helix, 36% strand | Q84II0 |
| B | Ferredoxin reductase component of carbazole | protein | 332 | 23% helix, 32% strand | Q84II0 |
| C | Ferredoxin reductase component of carbazole | protein | 329 | 21% helix, 34% strand | Q84II0 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 3 copies · chains A, B, C
- FES · Fe2/s2 (inorganic) cluster · ligand · 3 copies · chains A, B, C
- NI · Nickel (II) ion · metal · chains A, B, C
- CL · Chloride ion · ion · 10 copies · chains A, B, C
- IOD · Iodide ion · ion · 3 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 752 | 0.81 | 0.84 | 89 | FAD, CL |
| 2 | 442 | 0.68 | 0.80 | 51 | FAD |
| 3 | 209 | 0.68 | 0.85 | 27 | FAD |
| 4 | 188 | 0.65 | 0.85 | 30 | empty |
| 5 | 87 | 0.61 | 0.89 | 22 | IOD, CL |
Interfaces
3 interfaces between chains.
- A–C · 574 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 383 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 376 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 7C3A · Ferredoxin reductase in carbazole 1,9a-dioxygenase · 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 Q84II0
- Elsewhere: RCSB PDB 7C3A · PDBe 7C3A · UniProt Q84II0
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