MolNFT v1 · #23100 · protein
Ovine recombinant PRP(114-234), arq variant in complex with the Fab of the VRQ14 antibody
1TPX · Major prion protein: “Ovine recombinant PRP(114-234), arq variant in complex with the Fab of the VRQ14 antibody”. X-ray diffraction, 6 pockets (best druggability 0.49). MolNFT v1 #23100 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1TPX
- Type
- protein
- Length
- 533 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Major prion protein; The VRQ14 Fab
- UniProt
- Q6V654
- Pockets
- 6 · best druggability 0.49
Structure
x-ray diffraction · 3 distinct chains · 18% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Major prion protein | protein | 102 | 60% helix, 4% strand | Q6V654 |
| B | The VRQ14 Fab | protein | 212 | 10% helix, 50% strand | — |
| C | The VRQ14 Fab | protein | 219 | 5% helix, 50% strand | — |
Pockets
6 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 263 | 0.49 | 0.74 | 45 | empty |
| 2 | 188 | 0.49 | 0.76 | 29 | empty |
| 3 | 95 | 0.44 | 0.79 | 22 | empty |
| 4 | 81 | 0.34 | 0.75 | 24 | empty |
| 5 | 93 | 0.33 | 0.73 | 21 | empty |
Interfaces
3 interfaces between chains.
- B–C · 1699 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 550 Ų buried · 10 hydrogen bonds · protein-protein
- A–C · 521 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 1TPX · Ovine recombinant PrP(114-234), ARQ variant in complex with the Fab of the VRQ14 antibody · 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 Q6V654
- Elsewhere: RCSB PDB 1TPX · PDBe 1TPX · UniProt Q6V654
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