MolNFT v1 · #132312 · protein
T. brucei fpps in complex with cid 2804072
5QTA · Farnesyl pyrophosphate synthase: “T. brucei fpps in complex with cid 2804072”. X-ray diffraction, 1 ligand (PJD), 2 pockets (best druggability 0.65). MolNFT v1 #132312 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5QTA
- Type
- protein
- Length
- 325 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Farnesyl pyrophosphate synthase
- UniProt
- Q86C09
- Ligands
- PJD
- Pockets
- 2 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 79% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Farnesyl pyrophosphate synthase | protein | 325 | 79% helix, 0% strand | Q86C09 |
Ligands and binding sites
- PJD · 1,3-dichloro-2-[(methylsulfonyl)methyl]benzene · ligand · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
- DMS · Dimethyl sulfoxide · additive · 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 | 523 | 0.65 | 0.77 | 49 | PJD, DMS |
| 2 | 64 | 0.34 | 0.76 | 10 | empty |
Compared structures
- 5QTA · T. brucei FPPS in complex with CID 2804072 · 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 Q86C09
- Elsewhere: RCSB PDB 5QTA · PDBe 5QTA · UniProt Q86C09
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