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MolNFT v1 · #182249 · protein

PYL10 bound to the aba pan-antagonist 4A

7MLC · Abscisic acid receptor PYL10: “PYL10 bound to the aba pan-antagonist 4A”. X-ray diffraction, 1 ligand (ZLA), 1 pocket (best druggability 0.78). MolNFT v1 #182249 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7MLC
Type
protein
Length
156 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Abscisic acid receptor PYL10
UniProt
Q8H1R0
Ligands
ZLA
Pockets
1 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 42% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAbscisic acid receptor PYL10protein15626% helix, 42% strandQ8H1R0

Ligands and binding sites

  • ZLA · 1-{2-[3,5-dicyclopropyl-4-(4-{[(quinoxaline-2-carbonyl)amino]methyl}-1H-1,2,3-triazol-1-yl) phenyl]acetamido}cyclohexane-1-carboxylic acid · ligand · chains A
  • GOL · Glycerol · 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
13550.780.8841ZLA

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 7MLC · PYL10 bound to the ABA pan-antagonist 4a · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8H1R0 · AlphaFold monomer V2.0 prediction for abscisic acid receptor PYL10 (Q8H1R0) · a predicted model of the same protein · chain A against A, TM-score 0.98

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