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MolNFT v1 · #153747 · protein

Angiotensin II type 2 receptor with ligand

6JOD · Type-2 angiotensin II receptor: “Angiotensin II type 2 receptor with ligand”. X-ray diffraction, 11 pockets (best druggability 0.75). MolNFT v1 #153747 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6JOD
Type
protein
Length
805 residues
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Type-2 angiotensin II receptor; Angiotensin II; Soluble cytochrome B562,SOLUBLE…
UniProt
P50052, P0ABE7
Pockets
11 · best druggability 0.75

Structure

x-ray diffraction · 5 distinct chains · 38% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AType-2 angiotensin II receptorprotein30677% helix, 4% strandP50052
BAngiotensin IIprotein80% helix, 0% strand—
CSoluble cytochrome B562,SOLUBLE cytochrome B562protein5983% helix, 0% strandP0ABE7
HHeavy chain of 4A03FABprotein2201% helix, 52% strand—
LLight chain of 4A03FABprotein2126% helix, 53% strand—

Pockets

11 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19460.750.7874empty
24430.670.7943empty
35080.590.7440empty
41910.480.7529empty
51640.460.7626empty

Interfaces

6 interfaces between chains.

  • H–L · 1859 Ų buried · 14 hydrogen bonds · protein-protein
  • A–B · 832 Ų buried · 10 hydrogen bonds · protein-protein
  • A–H · 776 Ų buried · 12 hydrogen bonds · protein-protein
  • A–L · 344 Ų buried · 5 hydrogen bonds · protein-protein
  • C–L · 230 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

  • 6JOD · Angiotensin II type 2 receptor with ligand · the same entry in another collection · chain B against B, TM-score 1.00
  • P50052 · AlphaFold monomer V2.0 prediction for type-2 angiotensin II receptor (P50052) · a predicted model of the same protein · chain A against A, TM-score 0.98
  • P0ABE7 · AlphaFold monomer V2.0 prediction for soluble cytochrome B562 (P0ABE7) · a predicted model of the same protein · chain C against A, TM-score 0.93

Analyse

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