Research workbench
Crystal structure of the angiotensin II type 2 receptoror (AT2R) in complex with EMA401
Analyse Crystal structure of the angiotensin II type 2 receptoror (AT2R) in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7JNI
- Type
- protein
- Length
- 805 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Soluble cytochrome B562,TYPE-2 angiotensin II receptor
- UniProt
- P0ABE7, P50052
- Ligands
- OLA, VFD
- Pockets
- 10 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 78% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Soluble cytochrome B562,TYPE-2 angiotensin II receptor | protein | 407 | 78% helix, 3% strand | P0ABE7, P50052 |
| B | Soluble cytochrome B562,TYPE-2 angiotensin II receptor | protein | 398 | 78% helix, 3% strand | P0ABE7, P50052 |
Ligands and binding sites
- OLA · Oleic acid · ligand · 4 copies · chains A, B
- VFD · Olodanrigan · ligand · 2 copies · chains A, B
- OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 3 copies · chains A
- FMT · Formic acid · additive · chains A
- HEZ · Hexane-1,6-diol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1158 | 0.85 | 0.85 | 70 | VFD, HEZ |
| 2 | 1126 | 0.84 | 0.84 | 84 | OLA |
| 3 | 961 | 0.81 | 0.82 | 63 | VFD |
| 4 | 204 | 0.67 | 0.85 | 31 | empty |
| 5 | 152 | 0.62 | 0.85 | 30 | empty |
Interfaces
1 interface between chains.
- A–B · 1476 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified, 3 disulfide (alkylation, disulfide).
Compared structures
- 7JNI · Crystal structure of the angiotensin II type 2 receptoror (AT2R) in complex with EMA401 · 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 B against A, TM-score 0.71
- P0ABE7 · AlphaFold monomer V2.0 prediction for soluble cytochrome B562 (P0ABE7) · a predicted model of the same protein · chain B against A, TM-score 0.26
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P0ABE7
- Every structure of UniProt P50052
- Elsewhere: RCSB PDB 7JNI · PDBe 7JNI · UniProt P0ABE7 · UniProt P50052
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