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Crystal structure of pspto -psp protein in complex with D-beta-glucose from pseudomonas syringae pv. tomato str. DC3000

Analyse Crystal structure of pspto -psp protein in complex with D-beta-glucose from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3K0T
Type
protein
Length
370 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Endoribonuclease L-psp, putative
UniProt
Q88BE5
Ligands
BGC
Pockets
5 · best druggability 0.80

Structure

x-ray diffraction · 2 distinct chains · 30% helix, 32% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BEndoribonuclease L-psp, putativeprotein12328% helix, 32% strandQ88BE5
CEndoribonuclease L-psp, putativeprotein12431% helix, 33% strandQ88BE5

Ligands and binding sites

  • BGC · beta-D-glucopyranose · sugar · 3 copies · chains A, C, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11380.800.9736empty
21150.650.8922BGC
31120.640.8920BGC
41100.630.8720BGC
5640.310.7517empty

Interfaces

3 interfaces between chains.

  • B–C · 882 Ų buried · 14 hydrogen bonds · protein-protein
  • A–C · 879 Ų buried · 13 hydrogen bonds · protein-protein
  • A–B · 862 Ų buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 modified (engineered).

Compared structures

  • 3K0T · Crystal structure of PSPTO -PSP protein in complex with D-beta-Glucose from Pseudomonas… · the same entry in another collection · chain A against A, TM-score 1.00

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