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Structure of rhodopseudomonas palustris pdul - phosphate bound form

Analyse Structure of rhodopseudomonas palustris pdul - phosphate bound form in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5CUP
Type
protein
Length
378 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Phosphate propanoyltransferase
EC
2.3.1.222
UniProt
Q21A54
Ligands
ZN, PO4
Pockets
3 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 14% helix, 41% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BPhosphate propanoyltransferase (EC 2.3.1.222)protein18914% helix, 41% strandQ21A54

Ligands and binding sites

  • ZN · Zinc ion · metal · 4 copies · chains A, B
  • PO4 · Phosphate ion · ion · 3 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13390.640.8048ZN, PO4
22360.600.8141PO4
31680.440.7432empty

Interfaces

1 interface between chains.

  • A–B · 965 Ų buried · 20 hydrogen bonds · protein-protein

Compared structures

  • 5CUP · Structure of Rhodopseudomonas palustris PduL - phosphate bound form · the same entry in another collection · chain A against A, TM-score 1.00

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