MolNFT v1 · #39556 · protein
Crystal structure of S-nitroso thioredoxin
2HXK: “Crystal structure of S-nitroso thioredoxin”. X-ray diffraction, 1 pocket (best druggability 0.38). MolNFT v1 #39556 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2HXK
- Type
- protein
- Length
- 315 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thioredoxin
- UniProt
- Q5T937
- Pockets
- 1 · best druggability 0.38
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Thioredoxin | protein | 105 | 41% helix, 28% strand | Q5T937 |
Ligands and binding sites
- EOH · Ethanol · additive · 3 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 67 | 0.38 | 0.79 | 13 | empty |
Interfaces
2 interfaces between chains.
- A–B · 580 Ų buried · 8 hydrogen bonds · protein-protein
- B–C · 319 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified, 4 disulfide (nonstandard, disulfide).
Compared structures
- 2HXK · Crystal structure of S-nitroso thioredoxin · 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 Q5T937
- Elsewhere: RCSB PDB 2HXK · PDBe 2HXK · UniProt Q5T937
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