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Crystal structure of putative stringent starvation protein a from burkholderia cenocepacia with bound glutathione

Analyse Crystal structure of putative stringent starvation protein a from burkholderia… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4QQ7
Type
protein
Length
401 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative stringent starvation protein a
UniProt
B4E6Q3
Ligands
GSH, GLO
Pockets
4 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 57% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative stringent starvation protein aprotein20458% helix, 10% strandB4E6Q3
BPutative stringent starvation protein aprotein19757% helix, 11% strandB4E6Q3

Ligands and binding sites

  • GSH · Glutathione · ligand · 2 copies · chains A, B
  • GLO · D-glucose · sugar · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17610.770.8179GSH
21140.420.7621GLO
3890.360.7620empty
4790.360.7619empty

Interfaces

1 interface between chains.

  • A–B · 1128 Ų buried · 19 hydrogen bonds · protein-protein

Compared structures

  • 4QQ7 · Crystal Structure of Putative stringent starvation protein A from Burkholderia… · the same entry in another collection · chain A against A, TM-score 1.00

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