MolNFT v1 · #89556 · protein
Crystal structure of peroxiredoxin AHP1 from saccharomyces cerevisiae in reduced form
4DSR · Peroxiredoxin type-2: “Crystal structure of peroxiredoxin AHP1 from saccharomyces cerevisiae in reduced form”. X-ray diffraction, 6 pockets (best druggability 0.68). MolNFT v1 #89556 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4DSR
- Type
- protein
- Length
- 696 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxiredoxin type-2
- EC
- 1.11.1.15
- UniProt
- P38013
- Pockets
- 6 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Peroxiredoxin type-2 (EC 1.11.1.15) | protein | 174 | 31% helix, 28% strand | P38013 |
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 435 | 0.68 | 0.79 | 66 | empty |
| 2 | 413 | 0.68 | 0.80 | 69 | empty |
| 3 | 101 | 0.34 | 0.73 | 19 | empty |
| 4 | 84 | 0.33 | 0.74 | 19 | empty |
| 5 | 86 | 0.33 | 0.74 | 18 | empty |
Interfaces
3 interfaces between chains.
- A–B · 586 Ų buried · 8 hydrogen bonds · protein-protein
- C–D · 581 Ų buried · 3 hydrogen bonds · protein-protein
- B–C · 305 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 4DSR · Crystal structure of peroxiredoxin Ahp1 from Saccharomyces cerevisiae in reduced form · the same entry in another collection · chain D against D, TM-score 1.00
- P38013 · AlphaFold monomer V2.0 prediction for peroxiredoxin AHP1 (P38013) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P38013
- Elsewhere: RCSB PDB 4DSR · PDBe 4DSR · UniProt P38013
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