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MolNFT v1 · #158666 · protein

Crystal structure of the tir domain from the grapevine disease resistance protein RUN1 in complex with NADP+ and bis-tris

6O0W · Tir-nb-lrr type resistance protein RUN1: “Crystal structure of the tir domain from the grapevine disease resistance protein RUN1 in complex with NADP+…”. X-ray diffraction, 1 ligand (A2P), 1 pocket (best druggability 0.64). MolNFT…

PDB
6O0W
Type
protein
Length
169 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tir-nb-lrr type resistance protein RUN1
UniProt
V9M398
Ligands
A2P
Pockets
1 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 52% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATir-nb-lrr type resistance protein RUN1protein16952% helix, 15% strandV9M398

Ligands and binding sites

  • A2P · Adenosine-2'-5'-diphosphate · ligand · chains A
  • BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12040.640.8325A2P, BTB

Compared structures

  • 6O0W · Crystal structure of the TIR domain from the grapevine disease resistance protein RUN1 in… · the same entry in another collection · chain A against A, TM-score 1.00
  • V9M398 · AlphaFold monomer V2.0 prediction for disease resistance protein RUN1 (V9M398) · a predicted model of the same protein · chain A against A, TM-score 0.94

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