MolNFT v1 · #85743 · protein
Structure and properties of H1 crustacyanin from lobster homarus americanus
4ALO · H1 apocrustacyanin: “Structure and properties of H1 crustacyanin from lobster homarus americanus”. X-ray diffraction, 2 ligands (NA, SO4), 6 pockets (best druggability 0.84). MolNFT v1 #85743 on GenesisL1: 3D structure, binding…
- PDB
- 4ALO
- Type
- protein
- Length
- 362 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- H1 apocrustacyanin
- UniProt
- P80029
- Ligands
- NA, SO4
- Pockets
- 6 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 19% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | H1 apocrustacyanin | protein | 181 | 19% helix, 43% strand | P80029 |
Ligands and binding sites
- NA · Sodium ion · metal · 3 copies · chains A, B
- SO4 · Sulfate ion · ion · 5 copies · chains A, B
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 545 | 0.84 | 0.89 | 53 | MPD |
| 2 | 177 | 0.83 | 0.97 | 26 | MPD |
| 3 | 203 | 0.62 | 0.82 | 26 | empty |
| 4 | 180 | 0.60 | 0.81 | 24 | empty |
| 5 | 166 | 0.56 | 0.81 | 28 | SO4 |
Interfaces
1 interface between chains.
- A–B · 1189 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 4ALO · Structure and properties of H1 crustacyanin from lobster homarus americanus · the same entry in another collection · chain A against A, TM-score 1.00
- P80029 · AlphaFold monomer V2.0 prediction for crustacyanin-C1 subunit (P80029) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P80029
- Elsewhere: RCSB PDB 4ALO · PDBe 4ALO · UniProt P80029
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.