Research workbench
Crystal structure of barley thioredoxin H isoform 1 crystallized using peg as precipitant
Analyse Crystal structure of barley thioredoxin H isoform 1 crystallized using peg as… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2VM2
- Type
- protein
- Length
- 434 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thioredoxin H isoform 1.
- EC
- 1.8.1.9
- UniProt
- Q7XZK3
- Pockets
- 5 · best druggability 0.38
Structure
x-ray diffraction · 4 distinct chains · 43% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thioredoxin H isoform 1. (EC 1.8.1.9) | protein | 109 | 44% helix, 26% strand | Q7XZK3 |
| B | Thioredoxin H isoform 1. (EC 1.8.1.9) | protein | 107 | 44% helix, 25% strand | Q7XZK3 |
| C | Thioredoxin H isoform 1. (EC 1.8.1.9) | protein | 110 | 38% helix, 24% strand | Q7XZK3 |
| D | Thioredoxin H isoform 1. (EC 1.8.1.9) | protein | 108 | 44% helix, 26% strand | Q7XZK3 |
Pockets
5 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 66 | 0.38 | 0.78 | 14 | empty |
| 2 | 91 | 0.36 | 0.75 | 17 | empty |
| 3 | 106 | 0.33 | 0.72 | 25 | empty |
| 4 | 67 | 0.33 | 0.76 | 15 | empty |
| 5 | 53 | 0.28 | 0.74 | 14 | empty |
Interfaces
3 interfaces between chains.
- A–D · 467 Ų buried · 3 hydrogen bonds · protein-protein
- A–C · 419 Ų buried · 8 hydrogen bonds · protein-protein
- B–C · 116 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 2VM2 · Crystal structure of barley thioredoxin h isoform 1 crystallized using PEG as precipitant · 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 Q7XZK3
- Elsewhere: RCSB PDB 2VM2 · PDBe 2VM2 · UniProt Q7XZK3
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