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Ligand-triggered allosteric ADP release primes a plant nlr complex

Analyse Ligand-triggered allosteric ADP release primes a plant nlr complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6J5U
Type
protein
Length
1,164 residues
Chains
3
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Disease resistance RPP13-like protein 4; Probable SERINE/THREONINE-protein kinase PBL2…
EC
2.7.11.1
UniProt
Q38834, O49839, Q9SVY5
Pockets
20 · best druggability 0.81

Structure

electron microscopy · 3 distinct chains · 34% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADisease resistance RPP13-like protein 4protein66331% helix, 9% strandQ38834
CProbable SERINE/THREONINE-protein kinase PBL2 (EC 2.7.11.1)protein17433% helix, 1% strandO49839
BProtein kinase superfamily proteinprotein32741% helix, 12% strandQ9SVY5

Pockets

20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19910.810.8392empty
26320.760.8260empty
3780.680.9319empty
43500.680.8142empty
5570.660.9516empty

Interfaces

2 interfaces between chains.

  • A–B · 1750 Ų buried · 18 hydrogen bonds · protein-protein
  • C–B · 1290 Ų buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (nonstandard).

Compared structures

  • 6J5U · Ligand-triggered allosteric ADP release primes a plant NLR complex · the same entry in another collection · chain A against A, TM-score 1.00
  • Q38834 · AlphaFold monomer V2.0 prediction for disease resistance RPP13-like protein 4 (Q38834) · a predicted model of the same protein · chain A against A, TM-score 0.97
  • Q9SVY5 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase ZRK1 (Q9SVY5) · a predicted model of the same protein · chain B against A, TM-score 0.96
  • O49839 · AlphaFold monomer V2.0 prediction for probable SERINE/THREONINE- protein kinase PBL2… · a predicted model of the same protein · chain C against A, TM-score 0.88

Analyse

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