MolNFT v1 · #26574 · protein
Crystal structure of bacillus thermoproteolyticus ferredoxin variants containing unexpected [3FE-4S] cluster that is linked to coenzyme a at 1.6 a resolution
1WTF: “Crystal structure of bacillus thermoproteolyticus ferredoxin variants containing unexpected [3FE-4S] cluster…”. X-ray diffraction, 3 ligands (F3S, COA, SO4), 2 pockets (best druggability 0.67). MolNFT v1 #26574 on GenesisL1: 3D…
- PDB
- 1WTF
- Type
- protein
- Length
- 324 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ferredoxin
- UniProt
- P10245
- Ligands
- F3S, COA, SO4
- Pockets
- 2 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 22% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Ferredoxin | protein | 81 | 22% helix, 17% strand | P10245 |
Ligands and binding sites
- F3S · FE3-S4 cluster · ligand · 4 copies · chains A, B, C, D
- COA · Coenzyme A · ligand · chains A
- SO4 · Sulfate ion · ion · 3 copies · chains B, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 319 | 0.67 | 0.82 | 38 | empty |
| 2 | 361 | 0.63 | 0.78 | 36 | empty |
Interfaces
3 interfaces between chains.
- A–C · 359 Ų buried · 0 hydrogen bonds · protein-protein
- B–D · 175 Ų buried · 1 hydrogen bond · protein-protein
- C–D · 20 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 1WTF · Crystal structure of Bacillus thermoproteolyticus Ferredoxin Variants Containing… · the same entry in another collection · chain D against D, TM-score 1.00
- P10245 · AlphaFold monomer V2.0 prediction for ferredoxin (P10245) · a predicted model of the same protein · chain D 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 P10245
- Elsewhere: RCSB PDB 1WTF · PDBe 1WTF · UniProt P10245
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.