MolNFT v1 · #46344 · protein
Cryptosporidium parvum putative polyprenyl pyrophosphate synthase (CGD4_2550) in complex with risedronate.
2O1O · Putative farnesyl pyrophosphate synthase: “Cryptosporidium parvum putative polyprenyl pyrophosphate synthase (CGD4_2550) in complex with risedronate.”. X-ray diffraction, 2 ligands (RIS, MG), 15 pockets (best druggability 0.73).…
- PDB
- 2O1O
- Type
- protein
- Length
- 666 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative farnesyl pyrophosphate synthase
- UniProt
- Q5CR09
- Ligands
- RIS, MG
- Pockets
- 15 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 70% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative farnesyl pyrophosphate synthase | protein | 335 | 69% helix, 1% strand | Q5CR09 |
| B | Putative farnesyl pyrophosphate synthase | protein | 331 | 72% helix, 1% strand | Q5CR09 |
Ligands and binding sites
- RIS · 1-hydroxy-2-(3-pyridinyl)ethylidene bis-phosphonic acid · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 59 | 0.73 | 0.98 | 14 | empty |
| 2 | 83 | 0.70 | 0.94 | 25 | empty |
| 3 | 522 | 0.70 | 0.80 | 46 | MG, RIS |
| 4 | 492 | 0.68 | 0.79 | 44 | MG, RIS |
| 5 | 59 | 0.67 | 0.94 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 2151 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 2O1O · Cryptosporidium parvum putative polyprenyl pyrophosphate synthase (cgd4_2550) in complex… · 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 Q5CR09
- Elsewhere: RCSB PDB 2O1O · PDBe 2O1O · UniProt Q5CR09
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