MolNFT v1 · #136079 · protein
Crystal structure of orange carotenoid protein
5UI2 · Orange carotenoid-binding protein: “Crystal structure of orange carotenoid protein”. X-ray diffraction, 4 ligands (EQ3, GLC, FRU), 7 pockets (best druggability 0.87). MolNFT v1 #136079 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5UI2
- Type
- protein
- Length
- 630 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Orange carotenoid-binding protein
- UniProt
- P83689
- Ligands
- EQ3, GLC, FRU, CL
- Pockets
- 7 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Orange carotenoid-binding protein | protein | 316 | 47% helix, 17% strand | P83689 |
| B | Orange carotenoid-binding protein | protein | 314 | 46% helix, 18% strand | P83689 |
Ligands and binding sites
- EQ3 · (3'R)-3'-hydroxy-beta,beta-caroten-4-one · ligand · 2 copies · chains A, B
- GLC · alpha-D-glucopyranose · sugar · chains A
- FRU · beta-D-fructofuranose · sugar · chains A
- CL · Chloride ion · ion · 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, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 490 | 0.87 | 0.93 | 60 | CL, EQ3 |
| 2 | 471 | 0.87 | 0.93 | 57 | CL, EQ3 |
| 3 | 141 | 0.76 | 0.94 | 28 | empty |
| 4 | 181 | 0.71 | 0.89 | 33 | empty |
| 5 | 96 | 0.49 | 0.82 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 1307 Ų buried · 24 hydrogen bonds · protein-protein
Compared structures
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 P83689
- Elsewhere: RCSB PDB 5UI2 · PDBe 5UI2 · UniProt P83689
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