MolNFT v1 · #110916 · protein
Xfel structure of human angiotensin receptor
4YAY · Soluble cytochrome B562,TYPE-1 angiotensin II receptor: “Xfel structure of human angiotensin receptor”. X-ray diffraction, 1 ligand (ZD7), 6 pockets (best druggability 0.82). MolNFT v1 #110916 on GenesisL1: 3D structure, binding…
- PDB
- 4YAY
- Type
- protein
- Length
- 393 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Soluble cytochrome B562,TYPE-1 angiotensin II receptor
- UniProt
- P0ABE7, P30556
- Ligands
- ZD7
- Pockets
- 6 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 76% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Soluble cytochrome B562,TYPE-1 angiotensin II receptor | protein | 393 | 76% helix, 3% strand | P0ABE7, P30556 |
Ligands and binding sites
- ZD7 · 5,7-diethyl-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-3,4-dihydro-1,6-naphthyridin-2(1H)-one · ligand · chains A
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 | 1176 | 0.82 | 0.83 | 65 | ZD7 |
| 2 | 177 | 0.54 | 0.79 | 29 | empty |
| 3 | 52 | 0.42 | 0.82 | 11 | empty |
| 4 | 138 | 0.39 | 0.73 | 25 | empty |
| 5 | 63 | 0.32 | 0.75 | 12 | empty |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 4YAY · XFEL structure of human Angiotensin Receptor · 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 0.67
- P0ABE7 · AlphaFold monomer V2.0 prediction for soluble cytochrome B562 (P0ABE7) · a predicted model of the same protein · chain A against A, TM-score 0.26
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 P30556
- Elsewhere: RCSB PDB 4YAY · PDBe 4YAY · UniProt P0ABE7 · UniProt P30556
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