MolNFT v1 · #31523 · protein
Structure of prgx
2AXU: “Structure of prgx”. X-ray diffraction, 20 pockets (best druggability 0.80). MolNFT v1 #31523 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2AXU
- Type
- protein
- Length
- 3,596 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Prgx
- UniProt
- Q04114
- Pockets
- 20 · best druggability 0.80
Structure
x-ray diffraction · 10 distinct chains · 71% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Prgx | protein | 303 | 73% helix, 1% strand | Q04114 |
| B, I | Prgx | protein | 300 | 72% helix, 1% strand | Q04114 |
| C | Prgx | protein | 299 | 71% helix, 1% strand | Q04114 |
| D, H | Prgx | protein | 298 | 71% helix, 1% strand | Q04114 |
| E | Prgx | protein | 300 | 73% helix, 1% strand | Q04114 |
| F | Prgx | protein | 301 | 71% helix, 1% strand | Q04114 |
| G | Prgx | protein | 303 | 69% helix, 1% strand | Q04114 |
| J | Prgx | protein | 296 | 70% helix, 1% strand | Q04114 |
| K | Prgx | protein | 299 | 70% helix, 1% strand | Q04114 |
| L | Prgx | protein | 299 | 71% helix, 1% strand | Q04114 |
Pockets
20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1045 | 0.80 | 0.81 | 100 | empty |
| 2 | 1142 | 0.80 | 0.81 | 109 | empty |
| 3 | 947 | 0.79 | 0.81 | 72 | empty |
| 4 | 962 | 0.78 | 0.80 | 87 | empty |
| 5 | 856 | 0.78 | 0.81 | 66 | empty |
Interfaces
19 interfaces between chains.
- A–B · 2971 Ų buried · 38 hydrogen bonds · protein-protein
- G–H · 2962 Ų buried · 29 hydrogen bonds · protein-protein
- E–F · 2872 Ų buried · 29 hydrogen bonds · protein-protein
- C–D · 2871 Ų buried · 37 hydrogen bonds · protein-protein
- K–L · 2870 Ų buried · 32 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 49 modified (engineered).
Compared structures
- 2AXU · Structure of PrgX · 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 Q04114
- Elsewhere: RCSB PDB 2AXU · PDBe 2AXU · UniProt Q04114
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