MolNFT v1 · #60630 · protein
Crystal structure of plasmodium falciparum thioredoxin, PFI0790W
3CXG · Putative thioredoxin: “Crystal structure of plasmodium falciparum thioredoxin, PFI0790W”. X-ray diffraction, 1 ligand (SO4), 3 pockets (best druggability 0.82). MolNFT v1 #60630 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 3CXG
- Type
- protein
- Length
- 244 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative thioredoxin
- UniProt
- Q8I2Z1
- Ligands
- SO4
- Pockets
- 3 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Putative thioredoxin | protein | 122 | 30% helix, 39% strand | Q8I2Z1 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 191 | 0.82 | 0.96 | 30 | empty |
| 2 | 100 | 0.42 | 0.78 | 16 | GOL |
| 3 | 100 | 0.41 | 0.77 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 747 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 3CXG · Crystal structure of Plasmodium falciparum thioredoxin, PFI0790w · 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 Q8I2Z1
- Elsewhere: RCSB PDB 3CXG · PDBe 3CXG · UniProt Q8I2Z1
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