MolNFT v1 · #101526 · protein
Crystal structure of mffibp, a capping head region swapped mutant of ice-binding protein
4NU3: “Crystal structure of mffibp, a capping head region swapped mutant of ice-binding protein”. X-ray diffraction, 2 ligands (NA, SO4), 1 pocket (best druggability 0.58). MolNFT v1 #101526 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4NU3
- Type
- protein
- Length
- 451 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ice-binding protein
- Ligands
- NA, SO4
- Pockets
- 1 · best druggability 0.58
Structure
x-ray diffraction · 2 distinct chains · 16% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ice-binding protein | protein | 226 | 15% helix, 41% strand | — |
| B | Ice-binding protein | protein | 225 | 16% helix, 41% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 329 | 0.58 | 0.77 | 52 | SO4 |
Interfaces
1 interface between chains.
- A–B · 397 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 4NU3 · Crystal structure of mFfIBP, a capping head region swapped mutant of ice-binding protein · 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 4NU3 · PDBe 4NU3
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