MolNFT v1 · #159522 · protein
Structure of synthetic nanobody-stabilized angiotensin II type 1 receptor bound to TRV026
6OS2 · Type-1 angiotensin II RECEPTOR,SOLUBLE cytochrome B562 bril…: “Structure of synthetic nanobody-stabilized angiotensin II type 1 receptor bound to TRV026”. X-ray diffraction, 3 ligands (CLR, NAG, NH2), 6 pockets (best druggability…
- PDB
- 6OS2
- Type
- protein
- Length
- 513 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Type-1 angiotensin II RECEPTOR,SOLUBLE cytochrome B562 bril fusion protein; Nanobody…
- UniProt
- P30556, P0ABE7
- Ligands
- CLR, NAG, NH2
- Pockets
- 6 · best druggability 0.70
Structure
x-ray diffraction · 3 distinct chains · 56% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Type-1 angiotensin II RECEPTOR,SOLUBLE cytochrome B562 bril fusion protein | protein | 380 | 74% helix, 4% strand | P30556, P0ABE7 |
| D | Nanobody NB.AT110I1_LE | protein | 126 | 2% helix, 52% strand | — |
| B | TRV026 peptide | protein | 7 | 0% helix, 43% strand | — |
Ligands and binding sites
- CLR · Cholesterol · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
- NH2 · Amino group · ion · chains A, B
- OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 6 copies · chains A, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 79 | 0.70 | 0.94 | 26 | NH2 |
| 2 | 338 | 0.59 | 0.77 | 36 | empty |
| 3 | 141 | 0.49 | 0.78 | 28 | empty |
| 4 | 62 | 0.37 | 0.78 | 14 | OLC |
| 5 | 85 | 0.33 | 0.74 | 14 | empty |
Interfaces
2 interfaces between chains.
- A–D · 1434 Ų buried · 14 hydrogen bonds · protein-protein
- A–B · 849 Ų buried · 18 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide, 1 glycan, 1 modified (disulfide, N-glycosylation, methylation).
Compared structures
- 6OS2 · Structure of synthetic nanobody-stabilized angiotensin II type 1 receptor bound to TRV026 · the same entry in another collection · chain A against A, TM-score 1.00
- P30556 · AlphaFold monomer V2.0 prediction for type-1 angiotensin II receptor (P30556) · a predicted model of the same protein · chain A against A, TM-score 0.74
- P0ABE7 · AlphaFold monomer V2.0 prediction for soluble cytochrome B562 (P0ABE7) · a predicted model of the same protein · chain A against A, TM-score 0.24
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 P30556
- Every structure of UniProt P0ABE7
- Elsewhere: RCSB PDB 6OS2 · PDBe 6OS2 · UniProt P30556 · UniProt P0ABE7
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.