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The plant peptide hormone receptor complex

Analyse The plant peptide hormone receptor complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4Z61
Type
protein
Length
1,593 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Phytosulfokine receptor 1; Somatic embryogenesis receptor kinase 2; Ptr-ile-ptr-thr-gln
EC
2.7.11.1
UniProt
Q8LPB4, Q9XIC7
Ligands
NAG
Pockets
11 · best druggability 0.66

Structure

x-ray diffraction · 4 distinct chains · 18% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APhytosulfokine receptor 1 (EC 2.7.11.1)protein61017% helix, 21% strandQ8LPB4
BPhytosulfokine receptor 1 (EC 2.7.11.1)protein60317% helix, 23% strandQ8LPB4
C, DSomatic embryogenesis receptor kinase 2 (EC 2.7.11.1)protein18522% helix, 19% strandQ9XIC7
P, QPtr-ile-ptr-thr-glnprotein50% helix, 40% strand—

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 17 copies · chains A, Q, C, B, P, D

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

Pockets

11 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15010.660.7855empty
24950.650.7745empty
34500.630.7736empty
43120.600.7833empty
52540.550.7734empty

Interfaces

8 interfaces between chains.

  • A–C · 1022 Ų buried · 10 hydrogen bonds · protein-protein
  • B–D · 1018 Ų buried · 8 hydrogen bonds · protein-protein
  • A–Q · 770 Ų buried · 16 hydrogen bonds · protein-protein
  • B–P · 748 Ų buried · 15 hydrogen bonds · protein-protein
  • C–D · 504 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 16 glycan, 13 disulfide, 4 modified (N-glycosylation, disulfide, sulfation).

Compared structures

  • 4Z61 · The plant peptide hormone receptor complex · the same entry in another collection · chain Q against Q, TM-score 1.00
  • Q9XIC7 · AlphaFold monomer V2.0 prediction for somatic embryogenesis receptor kinase 2 (Q9XIC7) · a predicted model of the same protein · chain C against A, TM-score 0.98
  • Q8LPB4 · AlphaFold monomer V2.0 prediction for phytosulfokine receptor 1 (Q8LPB4) · a predicted model of the same protein · chain B against A, TM-score 0.98

Analyse

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