Research workbench
Domain-swapped dimer of acanthamoeba castellanii CYP51
Analyse Domain-swapped dimer of acanthamoeba castellanii CYP51 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6Q2C
- Type
- protein
- Length
- 898 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Obtusifoliol 14ALPHADEMETHYLASE
- UniProt
- L8GJB3
- Ligands
- HEM, K, CL
- Pockets
- 9 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 55% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Obtusifoliol 14ALPHADEMETHYLASE | protein | 449 | 55% helix, 12% strand | L8GJB3 |
| B | Obtusifoliol 14ALPHADEMETHYLASE | protein | 449 | 55% helix, 13% strand | L8GJB3 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- K · Potassium ion · metal · 2 copies · chains A, B
- CL · Chloride ion · ion · chains B
- PEG · Di(hydroxyethyl)ether · additive · 3 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, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 606 | 0.86 | 0.91 | 71 | HEM |
| 2 | 629 | 0.86 | 0.90 | 74 | HEM |
| 3 | 401 | 0.84 | 0.91 | 49 | PEG, CL |
| 4 | 207 | 0.52 | 0.77 | 28 | empty |
| 5 | 80 | 0.51 | 0.84 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 2173 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 6Q2C · Domain-swapped dimer of Acanthamoeba castellanii CYP51 · 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 L8GJB3
- Elsewhere: RCSB PDB 6Q2C · PDBe 6Q2C · UniProt L8GJB3
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