MolNFT v1 · #40363 · protein
Solution structure of trx-arsc complex
2IPA · Thioredoxin: “Solution structure of trx-arsc complex”. Solution nmr, 1 pocket (best druggability 0.29). MolNFT v1 #40363 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2IPA
- Type
- protein
- Length
- 243 residues
- Chains
- 2
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thioredoxin; Protein arsc
- EC
- 1.20.4.-, 3.1.3.48
- UniProt
- P14949, P45947
- Pockets
- 1 · best druggability 0.29
Structure
solution nmr · 2 distinct chains · 37% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thioredoxin | protein | 104 | 35% helix, 27% strand | P14949 |
| B | Protein arsc (EC 1.20.4.-, 3.1.3.48) | protein | 139 | 38% helix, 15% strand | P45947 |
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 54 | 0.29 | 0.75 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 586 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 2IPA · solution structure of Trx-ArsC complex · the same entry in another collection · chain A against A, TM-score 1.00
- P14949 · AlphaFold monomer V2.0 prediction for thioredoxin (P14949) · a predicted model of the same protein · chain A against A, TM-score 0.92
- P45947 · AlphaFold monomer V2.0 prediction for arsenate reductase (P45947) · a predicted model of the same protein · chain B against A, TM-score 0.90
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 P14949
- Every structure of UniProt P45947
- Elsewhere: RCSB PDB 2IPA · PDBe 2IPA · UniProt P14949 · UniProt P45947
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