Research workbench
Naegleria fowleri CYP51(NFCYP51) complex with (S)-1-(4-fluorophenyl)- 2-(1H-imidazol-1-YL)ETHYL 3,5-dichlorobenzoate
Analyse Naegleria fowleri CYP51(NFCYP51) complex with (S)-1-(4-fluorophenyl)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7RKW
- Type
- protein
- Length
- 450 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein CYP51
- UniProt
- A0A2H4A2U9
- Ligands
- HEM, 5TV
- Pockets
- 5 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 56% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein CYP51 | protein | 450 | 56% helix, 11% strand | A0A2H4A2U9 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- 5TV · (1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3,5-dichlorobenzoate · ligand · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 858 | 0.86 | 0.88 | 66 | HEM, 5TV, GOL |
| 2 | 263 | 0.55 | 0.77 | 29 | empty |
| 3 | 152 | 0.49 | 0.78 | 29 | empty |
| 4 | 162 | 0.46 | 0.76 | 35 | empty |
| 5 | 63 | 0.35 | 0.78 | 13 | empty |
Compared structures
- 7RKW · Naegleria fowleri CYP51(NfCYP51) complex with (S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)e… · 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 A0A2H4A2U9
- Elsewhere: RCSB PDB 7RKW · PDBe 7RKW · UniProt A0A2H4A2U9
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.