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MolNFT v1 · #148860 · protein

High resolution crystal structure of parathyroid hormone 1 receptor in complex with a peptide agonist.

6FJ3 · Parathyroid HORMONE/PARATHYROID hormone-related peptide…: “High resolution crystal structure of parathyroid hormone 1 receptor in complex with a peptide agonist.”. X-ray diffraction, 7 ligands (OLA, NAG, MAN), 8 pockets (best…

PDB
6FJ3
Type
protein
Length
596 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Parathyroid HORMONE/PARATHYROID hormone-related peptide RECEPTOR,PARATHYROID…
UniProt
Q03431, Q9V2J8, Q27IM2
Ligands
OLA, NAG, MAN, BMA, FUC, NH2, CL
Pockets
8 · best druggability 0.42

Structure

x-ray diffraction · 2 distinct chains · 62% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AParathyroid HORMONE/PARATHYROID hormone-related peptide RECEPTOR,PARATHYROID HORMONE/PARATHYROID hormone-related peptide RECEPTOR,GLGA glycogen SYNTHASE,PARATHYROID HORMONE/PARATHYROID hormone-related peptide receptorprotein56260% helix, 9% strandQ03431, Q9V2J8
BParathyroid hormoneprotein3491% helix, 0% strandQ27IM2

Ligands and binding sites

  • OLA · Oleic acid · ligand · 9 copies · chains A
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 6 copies · chains A
  • MAN · alpha-D-mannopyranose · sugar · 6 copies
  • BMA · beta-D-mannopyranose · sugar · 3 copies
  • FUC · alpha-L-fucopyranose · sugar · 2 copies · chains A, B
  • NH2 · Amino group · ion · chains A, B
  • CL · Chloride ion · ion · chains A
  • ACY · Acetic acid · additive · chains A
  • PG4 · Tetraethylene glycol · additive · chains A

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

Pockets

8 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11360.420.7526empty
21200.420.7629empty
3650.400.8020empty
4640.330.7611empty
51030.320.7218empty

Interfaces

1 interface between chains.

  • A–B · 2130 Ų buried · 16 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 modified, 4 disulfide, 3 glycan (disulfide, nonstandard, N-glycosylation, alkylation).

Compared structures

  • 6FJ3 · High resolution crystal structure of parathyroid hormone 1 receptor in complex with a… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q27IM2 · AlphaFold monomer V2.0 prediction for parathyroid hormone (Q27IM2) · a predicted model of the same protein · chain B against A, TM-score 0.87
  • Q03431 · AlphaFold monomer V2.0 prediction for parathyroid HORMONE/PARATHYROID hormone-related… · a predicted model of the same protein · chain A against A, TM-score 0.58

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