MolNFT v1 · #21248 · protein
The structure and refinement of apocrustacyanin C2 to 1.6A resolution and the search for differences between this protein and the homologous apoproteins A1 and C1.
1S44 · Crustacyanin A1 subunit: “The structure and refinement of apocrustacyanin C2 to 1.6A resolution and the search for differences between…”. X-ray diffraction, 1 ligand (SO4), 5 pockets (best druggability 0.84). MolNFT v1 #21248 on…
- PDB
- 1S44
- Type
- protein
- Length
- 360 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Crustacyanin A1 subunit
- UniProt
- P58989
- Ligands
- SO4
- Pockets
- 5 · 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 | Crustacyanin A1 subunit | protein | 180 | 19% helix, 43% strand | P58989 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · 2 copies · chains A
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 187 | 0.84 | 0.97 | 24 | MPD |
| 2 | 420 | 0.83 | 0.90 | 59 | SO4, GOL |
| 3 | 128 | 0.56 | 0.83 | 19 | SO4 |
| 4 | 160 | 0.54 | 0.79 | 22 | empty |
| 5 | 54 | 0.28 | 0.75 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1163 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 1S44 · The structure and refinement of apocrustacyanin C2 to 1.6A resolution and the search for… · the same entry in another collection · chain A against A, TM-score 1.00
- P58989 · AlphaFold monomer V2.0 prediction for crustacyanin-A1 subunit (P58989) · a predicted model of the same protein · chain B 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 P58989
- Elsewhere: RCSB PDB 1S44 · PDBe 1S44 · UniProt P58989
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