Research workbench
Crystal structure of CYP90B1 in complex with uniconazole
Analyse Crystal structure of CYP90B1 in complex with uniconazole in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6A16
- Type
- protein
- Length
- 439 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome P450 90B1
- EC
- 1.14.-.-
- UniProt
- O64989
- Ligands
- HEM, UCZ, CL
- Pockets
- 6 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 54% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome P450 90B1 (EC 1.14.-.-) | protein | 439 | 54% helix, 11% strand | O64989 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- UCZ · (1E,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol · ligand · chains A
- CL · Chloride ion · ion · 2 copies · chains A
- GOL · Glycerol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 545 | 0.87 | 0.92 | 53 | HEM, UCZ |
| 2 | 150 | 0.54 | 0.80 | 19 | empty |
| 3 | 59 | 0.38 | 0.80 | 23 | empty |
| 4 | 83 | 0.38 | 0.76 | 16 | empty |
| 5 | 86 | 0.33 | 0.74 | 19 | empty |
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 O64989
- Elsewhere: RCSB PDB 6A16 · PDBe 6A16 · UniProt O64989
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