MolNFT v1 · #177513 · protein
The crystal structure of orange carotenoid binding protein 1 (OCP1)
7EKR · Orange carotenoid protein: “The crystal structure of orange carotenoid binding protein 1 (OCP1)”. X-ray diffraction, 1 ligand (45D), 9 pockets (best druggability 0.87). MolNFT v1 #177513 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7EKR
- Type
- protein
- Length
- 616 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Orange carotenoid protein
- UniProt
- A0A7M3UF22
- Ligands
- 45D
- Pockets
- 9 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Orange carotenoid protein | protein | 307 | 47% helix, 17% strand | A0A7M3UF22 |
| B | Orange carotenoid protein | protein | 309 | 47% helix, 18% strand | A0A7M3UF22 |
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
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 545 | 0.87 | 0.92 | 61 | 45D |
| 2 | 848 | 0.85 | 0.87 | 105 | 45D |
| 3 | 169 | 0.76 | 0.93 | 31 | empty |
| 4 | 201 | 0.73 | 0.90 | 31 | empty |
| 5 | 93 | 0.45 | 0.79 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1024 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 7EKR · The crystal structure of Orange carotenoid binding protein 1 (OCP1) · 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 A0A7M3UF22
- Elsewhere: RCSB PDB 7EKR · PDBe 7EKR · UniProt A0A7M3UF22
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