MolNFT v1 · #106376 · protein
Crystal structure of human farnesyl diphosphate synthase in complex with bph-1358
4RXA · Farnesyl pyrophosphate synthase: “Crystal structure of human farnesyl diphosphate synthase in complex with bph-1358”. X-ray diffraction, 2 ligands (3F2, PO4), 2 pockets (best druggability 0.77). MolNFT v1 #106376 on GenesisL1: 3D…
- PDB
- 4RXA
- Type
- protein
- Length
- 330 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Farnesyl pyrophosphate synthase
- EC
- 2.5.1.10, 2.5.1.1
- UniProt
- P14324
- Ligands
- 3F2, PO4
- Pockets
- 2 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 72% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Farnesyl pyrophosphate synthase (EC 2.5.1.10, 2.5.1.1) | protein | 330 | 72% helix, 1% strand | P14324 |
Ligands and binding sites
- 3F2 · N,N'-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]biphenyl-4,4'-dicarboxamide · ligand · chains A
- PO4 · Phosphate 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 | 1031 | 0.77 | 0.79 | 67 | 3F2, PO4 |
| 2 | 64 | 0.36 | 0.78 | 21 | empty |
Compared structures
- 4RXA · Crystal structure of human farnesyl diphosphate synthase in complex with BPH-1358 · the same entry in another collection · chain A against A, TM-score 1.00
- P14324 · AlphaFold monomer V2.0 prediction for farnesyl pyrophosphate synthase (P14324) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 P14324
- Elsewhere: RCSB PDB 4RXA · PDBe 4RXA · UniProt P14324
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