MolNFT v1 · #120958 · protein
Structure of anabaena (nostoc) sp. pcc 7120 orange carotenoid protein binding canthaxanthin
5HGR · Orange carotenoid protein (ocp): “Structure of anabaena (nostoc) sp. pcc 7120 orange carotenoid protein binding canthaxanthin”. X-ray diffraction, 1 ligand (45D), 7 pockets (best druggability 0.87). MolNFT v1 #120958 on GenesisL1…
- PDB
- 5HGR
- Type
- protein
- Length
- 624 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Orange carotenoid protein (ocp)
- UniProt
- Q8YSD9
- Ligands
- 45D
- Pockets
- 7 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Orange carotenoid protein (ocp) | protein | 315 | 49% helix, 17% strand | Q8YSD9 |
| B | Orange carotenoid protein (ocp) | protein | 309 | 46% helix, 17% strand | Q8YSD9 |
Ligands and binding sites
- 45D · beta,beta-carotene-4,4'-dione · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 805 | 0.87 | 0.90 | 98 | 45D |
| 2 | 610 | 0.87 | 0.91 | 69 | 45D |
| 3 | 181 | 0.68 | 0.87 | 37 | empty |
| 4 | 55 | 0.40 | 0.82 | 18 | empty |
| 5 | 147 | 0.38 | 0.73 | 28 | empty |
Interfaces
1 interface between chains.
- A–B · 1031 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 5HGR · Structure of Anabaena (Nostoc) sp. PCC 7120 Orange Carotenoid Protein binding… · 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
- Every structure of UniProt Q8YSD9
- Elsewhere: RCSB PDB 5HGR · PDBe 5HGR · UniProt Q8YSD9
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