MolNFT v1 · #109718 · protein
Structure of the N-terminal domain of ocp binding canthaxanthin
4XB4 · Orange carotenoid-binding protein: “Structure of the N-terminal domain of ocp binding canthaxanthin”. X-ray diffraction, 1 ligand (45D), 3 pockets (best druggability 0.76). MolNFT v1 #109718 on GenesisL1: 3D structure, binding sites…
- PDB
- 4XB4
- Type
- protein
- Length
- 282 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Orange carotenoid-binding protein
- UniProt
- P74102
- Ligands
- 45D
- Pockets
- 3 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 72% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Orange carotenoid-binding protein | protein | 137 | 72% helix, 0% strand | P74102 |
| B | Orange carotenoid-binding protein | protein | 145 | 72% helix, 0% strand | P74102 |
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
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 439 | 0.76 | 0.84 | 47 | 45D |
| 2 | 258 | 0.68 | 0.83 | 38 | 45D |
| 3 | 141 | 0.41 | 0.74 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 619 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 4XB4 · Structure of the N-terminal domain of OCP binding canthaxanthin · the same entry in another collection · chain A against A, TM-score 1.00
- P74102 · AlphaFold monomer V2.0 prediction for orange carotenoid-binding protein (P74102) · a predicted model of the same protein · chain A against A, TM-score 0.91
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 P74102
- Elsewhere: RCSB PDB 4XB4 · PDBe 4XB4 · UniProt P74102
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