Research workbench
Naegleria fowleri CYP51 (NFCYP51) complex with (S)-1-(2,4- dichlorophenyl)-2-(1H-imidazol-1-YL)ETHYL 3-(TRIFLUOROMETHYL)BENZOATE
Analyse Naegleria fowleri CYP51 (NFCYP51) complex with (S)-1-(2,4… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7RKT
- Type
- protein
- Length
- 452 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein CYP51
- UniProt
- A0A2H4A2U9
- Ligands
- HEM, 5UR
- Pockets
- 6 · 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 | 452 | 56% helix, 11% strand | A0A2H4A2U9 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- 5UR · (1S)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate · ligand · 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 911 | 0.86 | 0.87 | 68 | HEM, 5UR, GOL |
| 2 | 211 | 0.53 | 0.78 | 31 | empty |
| 3 | 117 | 0.51 | 0.81 | 26 | empty |
| 4 | 97 | 0.39 | 0.76 | 24 | empty |
| 5 | 56 | 0.34 | 0.78 | 12 | empty |
Compared structures
- 7RKT · Naegleria fowleri CYP51 (NfCYP51) complex with… · 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 7RKT · PDBe 7RKT · UniProt A0A2H4A2U9
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.