MolNFT v1 · #97439 · protein
Crystal structure of the hyperactive type I antifreeze from winter flounder
4KE2 · Type I hyperactive antifreeze protein: “Crystal structure of the hyperactive type I antifreeze from winter flounder”. X-ray diffraction, 4 pockets (best druggability 0.78). MolNFT v1 #97439 on GenesisL1: 3D structure, binding sites…
- PDB
- 4KE2
- Type
- protein
- Length
- 588 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Type I hyperactive antifreeze protein
- UniProt
- B1P0S1
- Pockets
- 4 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 94% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Type I hyperactive antifreeze protein | protein | 196 | 94% helix, 0% strand | B1P0S1 |
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 423 | 0.78 | 0.87 | 64 | empty |
| 2 | 377 | 0.76 | 0.86 | 56 | empty |
| 3 | 351 | 0.76 | 0.86 | 54 | empty |
| 4 | 161 | 0.61 | 0.84 | 27 | empty |
Interfaces
3 interfaces between chains.
- B–C · 1794 Ų buried · 19 hydrogen bonds · protein-protein
- A–C · 454 Ų buried · 2 hydrogen bonds · protein-protein
- A–B · 394 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 4KE2 · Crystal structure of the hyperactive Type I antifreeze from winter flounder · the same entry in another collection · chain A against A, TM-score 1.00
- B1P0S1 · AlphaFold monomer V2.0 prediction for antifreeze protein maxi (B1P0S1) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 B1P0S1
- Elsewhere: RCSB PDB 4KE2 · PDBe 4KE2 · UniProt B1P0S1
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