Research workbench
Retinoic acid bound cyanobacterial CYP120A1
Analyse Retinoic acid bound cyanobacterial CYP120A1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2VE3
- Type
- protein
- Length
- 862 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative cytochrome P450 120
- EC
- 1.14.-.-
- UniProt
- Q59990
- Ligands
- HEM, REA
- Pockets
- 10 · best druggability 0.89
Structure
x-ray diffraction · 2 distinct chains · 52% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative cytochrome P450 120 (EC 1.14.-.-) | protein | 435 | 51% helix, 13% strand | Q59990 |
| B | Putative cytochrome P450 120 (EC 1.14.-.-) | protein | 427 | 53% helix, 13% strand | Q59990 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- REA · Retinoic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 863 | 0.89 | 0.92 | 98 | HEM, REA |
| 2 | 642 | 0.87 | 0.91 | 69 | HEM, REA |
| 3 | 230 | 0.75 | 0.90 | 28 | empty |
| 4 | 101 | 0.58 | 0.85 | 19 | empty |
| 5 | 126 | 0.49 | 0.79 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 966 Ų buried · 11 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 Q59990
- Elsewhere: RCSB PDB 2VE3 · PDBe 2VE3 · UniProt Q59990
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