MolNFT v1 · #22217 · protein
Initial structural analysis of plasmodium falciparum thioredoxin
1SYR: “Initial structural analysis of plasmodium falciparum thioredoxin”. X-ray diffraction, 14 pockets (best druggability 0.70). MolNFT v1 #22217 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1SYR
- Type
- protein
- Length
- 1,222 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thioredoxin
- UniProt
- Q7KQL8
- Pockets
- 14 · best druggability 0.70
Structure
x-ray diffraction · 3 distinct chains · 40% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Thioredoxin | protein | 103 | 40% helix, 28% strand | Q7KQL8 |
| B, D, E, F, G, I, J, K, L | Thioredoxin | protein | 102 | 40% helix, 27% strand | Q7KQL8 |
| H | Thioredoxin | protein | 98 | 39% helix, 27% strand | Q7KQL8 |
Pockets
14 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 746 | 0.70 | 0.77 | 64 | empty |
| 2 | 212 | 0.52 | 0.77 | 25 | empty |
| 3 | 154 | 0.45 | 0.76 | 22 | empty |
| 4 | 178 | 0.44 | 0.74 | 26 | empty |
| 5 | 145 | 0.42 | 0.75 | 19 | empty |
Interfaces
15 interfaces between chains.
- C–D · 549 Ų buried · 5 hydrogen bonds · protein-protein
- E–F · 549 Ų buried · 4 hydrogen bonds · protein-protein
- I–J · 535 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 535 Ų buried · 4 hydrogen bonds · protein-protein
- G–H · 524 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 disulfide (disulfide).
Compared structures
- 1SYR · Initial Structural Analysis of Plasmodium falciparum thioredoxin · the same entry in another collection · chain L against L, 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 Q7KQL8
- Elsewhere: RCSB PDB 1SYR · PDBe 1SYR · UniProt Q7KQL8
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