MolNFT v1 · #163922 · protein
T. cruzi fpps in complex with 5-(4-FLUOROPHENOXY)PYRIDIN-2-amine
6SHV · Farnesyl diphosphate synthase: “T. cruzi fpps in complex with 5-(4-FLUOROPHENOXY)PYRIDIN-2-amine”. X-ray diffraction, 3 ligands (LDW, ZN, SO4), 2 pockets (best druggability 0.72). MolNFT v1 #163922 on GenesisL1: 3D structure…
- PDB
- 6SHV
- Type
- protein
- Length
- 351 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Farnesyl diphosphate synthase
- UniProt
- Q8WS26
- Ligands
- LDW, ZN, SO4
- Pockets
- 2 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 74% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Farnesyl diphosphate synthase | protein | 351 | 74% helix, 1% strand | Q8WS26 |
Ligands and binding sites
- LDW · 5-(4-fluoranylphenoxy)pyridin-2-amine · ligand · 2 copies · chains A
- ZN · Zinc ion · metal · chains A
- SO4 · Sulfate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 698 | 0.72 | 0.79 | 69 | LDW, SO4 |
| 2 | 56 | 0.28 | 0.74 | 13 | empty |
Compared structures
- 6SHV · T. cruzi FPPS in complex with 5-(4-fluorophenoxy)pyridin-2-amine · 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 Q8WS26
- Elsewhere: RCSB PDB 6SHV · PDBe 6SHV · UniProt Q8WS26
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