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Structure of PH1917 protein with the complex of IMP from Pyrococcus horikoshii

Analyse Structure of PH1917 protein with the complex of IMP from Pyrococcus horikoshii in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2DVN
Type
protein
Length
372 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.6
Source
Pyrococcus horikoshii
Molecule
Hypothetical protein PH1917
UniProt
O59580
Ligands
IMP, SO4
Pockets
3 · best druggability 0.78

Structure

x-ray diffraction · resolution 1.6 · 1 distinct chain · 39% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BHypothetical protein PH1917protein18639% helix, 26% strandO59580

Ligands and binding sites

  • IMP · Inosinic acid · ligand · 2 copies · chains A, B
  • SO4 · Sulfate ion · ion · 13 copies · chains A, B
  • GOL · Glycerol · additive · 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
18410.780.8186SO4, IMP, GOL
23430.600.7748IMP, GOL
3590.290.7416empty

Interfaces

1 interface between chains.

  • A–B · 715 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 2DVN · Structure of PH1917 protein with the complex of imp from pyrococcus horikoshii · the same entry in another collection · chain A against A, TM-score 1.00
  • O59580 · AlphaFold monomer V2.0 prediction for DITP/XTP pyrophosphatase (O59580) · a predicted model of the same protein · chain A against A, TM-score 0.99

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