MolNFT v1 · #136261 · protein
Xfel structure of human angiotensin II type 2 receptor (orthorhombic form) in complex with compound 1 (N-benzyl-N-(2-ethyl-4-oxo-3-{[2'- (2H-tetrazol-5-YL)[1,1'-biphenyl]-4-yl] methyl}-3,4- dihydroquinazolin-6-YL)THIOPHENE-2-carboxamide)
5UNG · Chimera protein of type-2 angiotensin II receptor and…: “Xfel structure of human angiotensin II type 2 receptor (orthorhombic form) in complex with compound 1…”. X-ray diffraction, 2 ligands (8ES, OLA), 5 pockets (best druggability…
- PDB
- 5UNG
- Type
- protein
- Length
- 410 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chimera protein of type-2 angiotensin II receptor and soluble cytochrome B562
- UniProt
- P0ABE7, P50052
- Ligands
- 8ES, OLA
- Pockets
- 5 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 77% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Chimera protein of type-2 angiotensin II receptor and soluble cytochrome B562 | protein | 410 | 77% helix, 3% strand | P0ABE7, P50052 |
Ligands and binding sites
- 8ES · N-benzyl-N-(2-ethyl-4-oxo-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)thiophene-2-carboxamide · ligand · chains B
- OLA · Oleic acid · ligand · chains B
- OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1199 | 0.83 | 0.84 | 72 | 8ES |
| 2 | 370 | 0.64 | 0.79 | 41 | empty |
| 3 | 182 | 0.55 | 0.79 | 26 | empty |
| 4 | 86 | 0.50 | 0.82 | 17 | empty |
| 5 | 71 | 0.33 | 0.74 | 10 | empty |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 5UNG · XFEL structure of human angiotensin II type 2 receptor (Orthorhombic form) in complex… · 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 B against A, TM-score 0.70
- P0ABE7 · AlphaFold monomer V2.0 prediction for soluble cytochrome B562 (P0ABE7) · a predicted model of the same protein · chain B against A, TM-score 0.25
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 5UNG · PDBe 5UNG · UniProt P0ABE7 · UniProt P50052
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