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Re-refinement of P. falciparum orotidine 5'-monophosphate decarboxylase

Analyse Re-refinement of P. falciparum orotidine 5'-monophosphate decarboxylase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6DSR
Type
protein
Length
625 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Orotidine 5'-monophosphate decarboxylase
EC
4.1.1.23
UniProt
Q8T6J6
Ligands
U5P
Pockets
9 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 53% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AOrotidine 5'-monophosphate decarboxylase (EC 4.1.1.23)protein31454% helix, 15% strandQ8T6J6
BOrotidine 5'-monophosphate decarboxylase (EC 4.1.1.23)protein31153% helix, 15% strandQ8T6J6

Ligands and binding sites

  • U5P · Uridine-5'-monophosphate · ligand · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

9 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11270.780.9632U5P
21970.710.8847U5P
3770.360.7615empty
4900.340.7413empty
5560.330.7715empty

Interfaces

1 interface between chains.

  • A–B · 2501 Ų buried · 33 hydrogen bonds · protein-protein

Compared structures

  • 6DSR · Re-refinement of P. falciparum orotidine 5'-monophosphate decarboxylase · the same entry in another collection · chain A against A, TM-score 1.00

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