MolNFT v1 · #48957 · protein
Crystal structure of plasmodium falciparum orotidine 5'-phosphate decarboxylase complexed with 6-amino-ump
2Q8Z · Orotidine-monophosphate-decarboxylase: “Crystal structure of plasmodium falciparum orotidine 5'-phosphate decarboxylase complexed with 6-amino-ump”. X-ray diffraction, 2 ligands (NUP, SO4), 8 pockets (best druggability 0.76). MolNFT…
- PDB
- 2Q8Z
- Type
- protein
- Length
- 651 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Orotidine-monophosphate-decarboxylase
- UniProt
- Q8IJH3
- Ligands
- NUP, SO4
- Pockets
- 8 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 54% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Orotidine-monophosphate-decarboxylase | protein | 330 | 54% helix, 15% strand | Q8IJH3 |
| B | Orotidine-monophosphate-decarboxylase | protein | 321 | 55% helix, 16% strand | Q8IJH3 |
Ligands and binding sites
- NUP · 6-aminouridine 5'-monophosphate · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A, B
- 7PE · 2-(2-(2-(2-(2-(2-ethoxyethoxy)ethoxy)ethoxy)ethoxy) ethoxy)ethanol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 116 | 0.76 | 0.96 | 31 | NUP |
| 2 | 113 | 0.75 | 0.95 | 32 | NUP |
| 3 | 125 | 0.46 | 0.78 | 20 | empty |
| 4 | 79 | 0.43 | 0.80 | 16 | empty |
| 5 | 131 | 0.42 | 0.75 | 19 | SO4 |
Interfaces
1 interface between chains.
- A–B · 2539 Ų buried · 27 hydrogen bonds · protein-protein
Compared structures
- 2Q8Z · Crystal structure of Plasmodium falciparum orotidine 5'-phosphate decarboxylase complexed… · 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 Q8IJH3
- Elsewhere: RCSB PDB 2Q8Z · PDBe 2Q8Z · UniProt Q8IJH3
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