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Complex of rice blast (Magnaporthe oryzae) effector protein AVR-PikD with the HMA domain of Pikp1 from rice (Oryza sativa)

Analyse Complex of rice blast (Magnaporthe oryzae) effector protein AVR-PikD with the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5A6W
Type
protein
Length
227 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.6
Source
MAGNAPORTHE ORYZAE; ORYZA SATIVA
Molecule
Resistance protein pikp-1; Avr-pik protein
UniProt
E9KPB5, C4B8B8
Ligands
SO4
Pockets
2 · best druggability 0.58

Structure

x-ray diffraction · resolution 1.6 · 3 distinct chains · 19% helix, 40% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AResistance protein pikp-1protein7131% helix, 37% strandE9KPB5
BResistance protein pikp-1protein7329% helix, 36% strandE9KPB5
CAvr-pik proteinprotein830% helix, 46% strandC4B8B8

Ligands and binding sites

  • SO4 · Sulfate ion · ion · chains C
  • EDO · 1,2-ethanediol · additive · 4 copies · chains B, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11290.580.8427EDO
2620.310.7517empty

Interfaces

3 interfaces between chains.

  • B–C · 951 Ų buried · 15 hydrogen bonds · protein-protein
  • A–B · 481 Ų buried · 6 hydrogen bonds · protein-protein
  • A–C · 131 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 5A6W · Complex of rice blast (magnaporthe oryzae) effector protein avr-pikd with the hma domain… · the same entry in another collection · chain A against A, TM-score 1.00
  • 7BNT · Complex of rice blast (Magnaporthe oryzae) effector protein AVR-PikD with a predicted… · a predicted model of the same protein · chain C against C, TM-score 0.99
  • 7BNT · Complex of rice blast (magnaporthe oryzae) effector protein avr-pikd with a predicted… · a predicted model of the same protein · chain C against C, TM-score 0.99

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