MolNFT v1 · #46588 · protein
Paps reductase in a covalent complex with thioredoxin C35A
2O8V · Phosphoadenosine phosphosulfate reductase: “Paps reductase in a covalent complex with thioredoxin C35A”. X-ray diffraction, 2 pockets (best druggability 0.68). MolNFT v1 #46588 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 2O8V
- Type
- protein
- Length
- 337 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphoadenosine phosphosulfate reductase; Thioredoxin 1
- EC
- 1.8.4.8, 1.-.-.-
- UniProt
- P17854, Q1R4F8
- Pockets
- 2 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphoadenosine phosphosulfate reductase (EC 1.8.4.8) | protein | 229 | 43% helix, 10% strand | P17854 |
| B | Thioredoxin 1 (EC 1.-.-.-) | protein | 108 | 33% helix, 28% strand | Q1R4F8 |
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 498 | 0.68 | 0.79 | 49 | empty |
| 2 | 50 | 0.34 | 0.79 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 833 Ų buried · 18 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 2O8V · PAPS reductase in a covalent complex with thioredoxin C35A · the same entry in another collection · chain A against A, TM-score 1.00
- P17854 · AlphaFold monomer V2.0 prediction for phosphoadenosine phosphosulfate reductase (P17854) · a predicted model of the same protein · chain A against A, TM-score 0.93
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 P17854
- Every structure of UniProt Q1R4F8
- Elsewhere: RCSB PDB 2O8V · PDBe 2O8V · UniProt P17854 · UniProt Q1R4F8
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