MolNFT v1 · #40576 · protein
Thioredoxin H2 (HVTRXH2) in a mixed disulfide complex with the target protein basi
2IWT · Thioredoxin H isoform 2: “Thioredoxin H2 (HVTRXH2) in a mixed disulfide complex with the target protein basi”. X-ray diffraction, 4 pockets (best druggability 0.48). MolNFT v1 #40576 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2IWT
- Type
- protein
- Length
- 289 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thioredoxin H isoform 2; Alpha-AMYLASE/SUBTILISIN inhibitor
- UniProt
- Q7XZK2, P07596
- Pockets
- 4 · best druggability 0.48
Structure
x-ray diffraction · 2 distinct chains · 18% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thioredoxin H isoform 2 | protein | 108 | 44% helix, 29% strand | Q7XZK2 |
| B | Alpha-AMYLASE/SUBTILISIN inhibitor | protein | 181 | 3% helix, 35% strand | P07596 |
Ligands and binding sites
- FLC · Citrate anion · additive · 2 copies · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 114 | 0.48 | 0.80 | 26 | empty |
| 2 | 120 | 0.44 | 0.77 | 16 | empty |
| 3 | 58 | 0.40 | 0.81 | 20 | empty |
| 4 | 90 | 0.36 | 0.75 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 393 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 2IWT · Thioredoxin h2 (HvTrxh2) in a mixed disulfide complex with the target protein BASI · the same entry in another collection · chain A against A, TM-score 1.00
- P07596 · AlphaFold monomer V2.0 prediction for alpha-AMYLASE/SUBTILISIN inhibitor (P07596) · a predicted model of the same protein · chain B against A, TM-score 0.95
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 Q7XZK2
- Every structure of UniProt P07596
- Elsewhere: RCSB PDB 2IWT · PDBe 2IWT · UniProt Q7XZK2 · UniProt P07596
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.