MolNFT v1 · #91572 · protein
Crystal structure of peroxiredoxin-1 from the human hookworm ancylostoma ceylanicum
4FH8 · Aceprx-1: “Crystal structure of peroxiredoxin-1 from the human hookworm ancylostoma ceylanicum”. X-ray diffraction, 20 pockets (best druggability 0.71). MolNFT v1 #91572 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4FH8
- Type
- protein
- Length
- 1,694 residues
- Chains
- 10
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aceprx-1
- EC
- 1.11.1.15
- Pockets
- 20 · best druggability 0.71
Structure
x-ray diffraction · 5 distinct chains · 31% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, D | Aceprx-1 (EC 1.11.1.15) | protein | 171 | 30% helix, 27% strand | — |
| C | Aceprx-1 (EC 1.11.1.15) | protein | 168 | 30% helix, 28% strand | — |
| E, G | Aceprx-1 (EC 1.11.1.15) | protein | 167 | 31% helix, 28% strand | — |
| F, H, J | Aceprx-1 (EC 1.11.1.15) | protein | 170 | 32% helix, 28% strand | — |
| I | Aceprx-1 (EC 1.11.1.15) | protein | 169 | 30% helix, 28% strand | — |
Pockets
20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 50 | 0.71 | 0.99 | 21 | empty |
| 2 | 54 | 0.70 | 0.98 | 21 | empty |
| 3 | 377 | 0.68 | 0.81 | 40 | empty |
| 4 | 369 | 0.68 | 0.81 | 40 | empty |
| 5 | 358 | 0.66 | 0.80 | 38 | empty |
Interfaces
10 interfaces between chains.
- A–B · 1220 Ų buried · 16 hydrogen bonds · protein-protein
- C–D · 1193 Ų buried · 17 hydrogen bonds · protein-protein
- I–J · 1191 Ų buried · 19 hydrogen bonds · protein-protein
- E–F · 1052 Ų buried · 17 hydrogen bonds · protein-protein
- G–H · 1030 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 4FH8 · Crystal Structure of Peroxiredoxin-1 from the human hookworm Ancylostoma ceylanicum · 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
- Elsewhere: RCSB PDB 4FH8 · PDBe 4FH8
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