MolNFT v1 · #157514 · protein
Structure of L509V CAO1 - growth condition 2
6N20 · Carotenoid oxygenase: “Structure of L509V CAO1 - growth condition 2”. X-ray diffraction, 2 ligands (FE2, CL), 20 pockets (best druggability 0.88). MolNFT v1 #157514 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6N20
- Type
- protein
- Length
- 1,975 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carotenoid oxygenase
- UniProt
- A0A0B0DIC8
- Ligands
- FE2, CL
- Pockets
- 20 · best druggability 0.88
Structure
x-ray diffraction · 3 distinct chains · 8% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| D | Carotenoid oxygenase | protein | 501 | 8% helix, 38% strand | A0A0B0DIC8 |
| A, C | Carotenoid oxygenase | protein | 497 | 8% helix, 38% strand | A0A0B0DIC8 |
| B | Carotenoid oxygenase | protein | 480 | 8% helix, 39% strand | A0A0B0DIC8 |
Ligands and binding sites
- FE2 · Fe (II) ion · metal · 4 copies · chains D, A, C, B
- CL · Chloride ion · ion · 4 copies · chains D, A, C, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1170 | 0.88 | 0.90 | 161 | empty |
| 2 | 246 | 0.85 | 0.97 | 51 | empty |
| 3 | 1079 | 0.84 | 0.86 | 136 | empty |
| 4 | 606 | 0.84 | 0.89 | 85 | empty |
| 5 | 619 | 0.84 | 0.89 | 79 | empty |
Interfaces
4 interfaces between chains.
- A–C · 1524 Ų buried · 37 hydrogen bonds · protein-protein
- D–B · 1490 Ų buried · 38 hydrogen bonds · protein-protein
- D–A · 568 Ų buried · 7 hydrogen bonds · protein-protein
- C–B · 516 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 6N20 · Structure of L509V CAO1 - growth condition 2 · the same entry in another collection · chain D against D, 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 A0A0B0DIC8
- Elsewhere: RCSB PDB 6N20 · PDBe 6N20 · UniProt A0A0B0DIC8
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