MolNFT v1 · #95621 · protein
Structure of a 16 nm protein cage designed by fusing symmetric oligomeric domains, triple mutant, I222 form
4IVJ · Non-haem bromoperoxidase bpo-A2, matrix protein 1: “Structure of a 16 nm protein cage designed by fusing symmetric oligomeric domains, triple mutant, I222 form”. X-ray diffraction, 12 pockets (best druggability 0.84). MolNFT v1…
- PDB
- 4IVJ
- Type
- protein
- Length
- 1,320 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Non-haem bromoperoxidase bpo-A2, matrix protein 1
- EC
- 1.11.1.-
- UniProt
- P29715, P03485
- Pockets
- 12 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 55% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Non-haem bromoperoxidase bpo-A2, matrix protein 1 (EC 1.11.1.-) | protein | 440 | 55% helix, 13% strand | P29715, P03485 |
Pockets
12 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1157 | 0.84 | 0.85 | 109 | empty |
| 2 | 418 | 0.63 | 0.77 | 42 | empty |
| 3 | 314 | 0.57 | 0.76 | 57 | empty |
| 4 | 181 | 0.54 | 0.79 | 30 | empty |
| 5 | 127 | 0.54 | 0.81 | 20 | empty |
Interfaces
3 interfaces between chains.
- B–C · 1012 Ų buried · 33 hydrogen bonds · protein-protein
- A–C · 938 Ų buried · 22 hydrogen bonds · protein-protein
- A–B · 864 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 4IVJ · Structure of a 16 nm protein cage designed by fusing symmetric oligomeric domains, triple… · the same entry in another collection · chain B against B, TM-score 1.00
- P29715 · AlphaFold monomer V2.0 prediction for non-haem bromoperoxidase bpo-A2 (P29715) · a predicted model of the same protein · chain C against A, TM-score 0.63
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 P29715
- Every structure of UniProt P03485
- Elsewhere: RCSB PDB 4IVJ · PDBe 4IVJ · UniProt P29715 · UniProt P03485
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