MolNFT v1 · #81378 · protein
Crystal structure of PF10_0123, a gmp synthetase from plasmodium falciparum
3UOW: “Crystal structure of PF10_0123, a gmp synthetase from plasmodium falciparum”. X-ray diffraction, 2 ligands (XMP, CA), 12 pockets (best druggability 0.71). MolNFT v1 #81378 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 3UOW
- Type
- protein
- Length
- 994 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Gmp synthetase
- EC
- 6.3.5.2
- UniProt
- Q8IJR9
- Ligands
- XMP, CA
- Pockets
- 12 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Gmp synthetase (EC 6.3.5.2) | protein | 517 | 37% helix, 25% strand | Q8IJR9 |
| B | Gmp synthetase (EC 6.3.5.2) | protein | 477 | 38% helix, 22% strand | Q8IJR9 |
Ligands and binding sites
- XMP · Xanthosine-5'-monophosphate · ligand · 2 copies · chains A, B
- CA · Calcium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 659 | 0.71 | 0.78 | 62 | XMP |
| 2 | 813 | 0.71 | 0.76 | 73 | XMP |
| 3 | 223 | 0.60 | 0.80 | 32 | empty |
| 4 | 194 | 0.57 | 0.80 | 22 | empty |
| 5 | 198 | 0.55 | 0.79 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 1440 Ų buried · 30 hydrogen bonds · protein-protein
Compared structures
- 3UOW · Crystal Structure of PF10_0123, a GMP Synthetase from Plasmodium Falciparum · 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 Q8IJR9
- Elsewhere: RCSB PDB 3UOW · PDBe 3UOW · UniProt Q8IJR9
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.