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X-ray structure of DNA processing protein a (dpra) from streptococcus pneumoniae

Analyse X-ray structure of DNA processing protein a (dpra) from streptococcus pneumoniae in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3UQZ
Type
protein
Length
845 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA processing protein dpra
UniProt
Q97QF0
Ligands
SO4
Pockets
11 · best druggability 0.82

Structure

x-ray diffraction · 3 distinct chains · 47% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA processing protein dpraprotein28347% helix, 14% strandQ97QF0
BDNA processing protein dpraprotein28048% helix, 14% strandQ97QF0
CDNA processing protein dpraprotein28247% helix, 14% strandQ97QF0

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 4 copies · chains A, B, C

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

Pockets

11 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17680.820.8586SO4
22370.620.8134empty
31720.610.8323empty
4960.590.8718empty
52310.580.7925empty

Interfaces

3 interfaces between chains.

  • A–C · 1053 Ų buried · 11 hydrogen bonds · protein-protein
  • B–C · 363 Ų buried · 2 hydrogen bonds · protein-protein
  • A–B · 237 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 15 modified (engineered).

Compared structures

  • 3UQZ · X-ray structure of DNA processing protein A (DprA) from Streptococcus pneumoniae · the same entry in another collection · chain A against A, TM-score 1.00

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