MolNFT v1 · #71497 · protein
Crystal structure of the orange carotenoid protein from cyanobacteria synechocystis sp. pcc 6803
3MG1: “Crystal structure of the orange carotenoid protein from cyanobacteria synechocystis sp. pcc 6803”. X-ray diffraction, 1 ligand (ECH), 9 pockets (best druggability 0.87). MolNFT v1 #71497 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3MG1
- Type
- protein
- Length
- 606 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Orange carotenoid protein
- UniProt
- P74102
- Ligands
- ECH
- Pockets
- 9 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Orange carotenoid protein | protein | 302 | 47% helix, 18% strand | P74102 |
| B | Orange carotenoid protein | protein | 304 | 48% helix, 18% strand | P74102 |
Ligands and binding sites
- ECH · beta,beta-caroten-4-one · ligand · 2 copies · chains A, B
- GOL · Glycerol · additive · 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 | 541 | 0.87 | 0.92 | 61 | ECH |
| 2 | 583 | 0.87 | 0.91 | 63 | ECH |
| 3 | 135 | 0.76 | 0.95 | 27 | empty |
| 4 | 744 | 0.72 | 0.78 | 92 | empty |
| 5 | 87 | 0.33 | 0.74 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1178 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 3MG1 · Crystal structure of the orange carotenoid protein from cyanobacteria Synechocystis sp.… · 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 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 P74102
- Elsewhere: RCSB PDB 3MG1 · PDBe 3MG1 · UniProt P74102
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