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Complex structure of angiotensin II type 2 receptor with Fab

Analyse Complex structure of angiotensin II type 2 receptor with Fab in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5XJM
Type
protein
Length
815 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Type-2 angiotensin II RECEPTOR,SOLUBLE cytochrome B562, type-2 angiotensin II receptor…
UniProt
P50052, P0ABE7
Pockets
9 · best druggability 0.70

Structure

x-ray diffraction · 4 distinct chains · 39% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AType-2 angiotensin II RECEPTOR,SOLUBLE cytochrome B562, type-2 angiotensin II receptorprotein37579% helix, 3% strandP50052, P0ABE7
HFabhprotein2203% helix, 50% strand—
LFablprotein2127% helix, 53% strand—
BSAR1, ILE8-angiotensin IIprotein80% helix, 0% strand—

Pockets

9 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14170.700.8135empty
26490.660.7561empty
3740.630.9020empty
42580.580.7838empty
52260.530.7742empty

Interfaces

4 interfaces between chains.

  • H–L · 1816 Ų buried · 12 hydrogen bonds · protein-protein
  • A–H · 838 Ų buried · 12 hydrogen bonds · protein-protein
  • A–B · 797 Ų buried · 11 hydrogen bonds · protein-protein
  • A–L · 324 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide, 1 modified (disulfide, methylation).

Compared structures

  • 5XJM · Complex structure of angiotensin II type 2 receptor with Fab · the same entry in another collection · chain A against A, 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 0.75
  • P0ABE7 · AlphaFold monomer V2.0 prediction for soluble cytochrome B562 (P0ABE7) · a predicted model of the same protein · chain A against A, TM-score 0.28

Analyse

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