Research workbench
Pandda analysis group deposition -- crystal structure of T. cruzi fpps in complex with FMOPL000465A
Analyse Pandda analysis group deposition -- crystal structure of T. cruzi fpps in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5QPJ
- Type
- protein
- Length
- 362 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Farnesyl diphosphate synthase
- UniProt
- Q8WS26
- Ligands
- JGJ, ZN, SO4
- Pockets
- 4 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 73% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Farnesyl diphosphate synthase | protein | 362 | 73% helix, 1% strand | Q8WS26 |
Ligands and binding sites
- JGJ · 2-methoxy-N-[(1R)-1-phenylethyl]acetamide · ligand · 2 copies · chains A
- ZN · Zinc ion · metal · 2 copies · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
- ACT · Acetate ion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 674 | 0.80 | 0.84 | 62 | SO4, ZN |
| 2 | 60 | 0.59 | 0.91 | 14 | empty |
| 3 | 96 | 0.36 | 0.75 | 17 | JGJ |
| 4 | 50 | 0.32 | 0.77 | 11 | empty |
Compared structures
- 5QPJ · PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in 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 Q8WS26
- Elsewhere: RCSB PDB 5QPJ · PDBe 5QPJ · UniProt Q8WS26
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