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MolNFT v1 · #174310 · protein

Atrial natriuretic peptide receptor complexed with human atrial natriuretic peptide

7BRH · Atrial natriuretic peptide receptor 1: “Atrial natriuretic peptide receptor complexed with human atrial natriuretic peptide”. X-ray diffraction, 3 ligands (NAG, MAN, CL), 10 pockets (best druggability 0.68). MolNFT v1 #174310 on…

PDB
7BRH
Type
protein
Length
877 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Atrial natriuretic peptide receptor 1; Natriuretic peptides a
EC
4.6.1.2
UniProt
P18910, P01160
Ligands
NAG, MAN, CL
Pockets
10 · best druggability 0.68

Structure

x-ray diffraction · 2 distinct chains · 36% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BAtrial natriuretic peptide receptor 1 (EC 4.6.1.2)protein42638% helix, 19% strandP18910
LNatriuretic peptides aprotein2516% helix, 4% strandP01160

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 8 copies · chains A, B
  • MAN · alpha-D-mannopyranose · sugar · 6 copies
  • CL · Chloride ion · ion · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14050.680.8057empty
23240.680.8239empty
33130.660.8140empty
4990.620.8822empty
5980.610.8822empty

Interfaces

3 interfaces between chains.

  • B–L · 1071 Ų buried · 10 hydrogen bonds · protein-protein
  • A–L · 853 Ų buried · 9 hydrogen bonds · protein-protein
  • A–B · 557 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

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

Compared structures

  • 7BRH · Atrial Natriuretic Peptide Receptor complexed with human Atrial Natriuretic Peptide · the same entry in another collection · chain A against A, TM-score 1.00
  • P18910 · AlphaFold monomer V2.0 prediction for atrial natriuretic peptide receptor 1 (P18910) · a predicted model of the same protein · chain B against A, TM-score 0.99
  • P01160 · AlphaFold monomer V2.0 prediction for natriuretic peptides a (P01160) · a predicted model of the same protein · chain L against A, TM-score 0.17

Analyse

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