Research workbench
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.
Analyse The structure and refinement of apocrustacyanin C2 to 1.6A resolution and the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- 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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