Research workbench
Crystal structure of the complex of human angiotensinogen and renin at 2.55 Angstrom
Analyse Crystal structure of the complex of human angiotensinogen and renin at 2.55… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6I3F
- Type
- protein
- Length
- 758 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.55
- Source
- Homo sapiens
- Molecule
- Angiotensinogen; Renin
- EC
- 3.4.23.15
- UniProt
- P01019, P00797
- Ligands
- NAG, BMA, MAN, FUC, SO4
- Pockets
- 7 · best druggability 0.74
Structure
x-ray diffraction · resolution 2.55 · 2 distinct chains · 24% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Angiotensinogen | protein | 420 | 32% helix, 30% strand | P01019 |
| B | Renin (EC 3.4.23.15) | protein | 338 | 14% helix, 43% strand | P00797 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 5 copies · chains A, B
- BMA · beta-D-mannopyranose · sugar
- MAN · alpha-D-mannopyranose · sugar
- FUC · alpha-L-fucopyranose · sugar · chains B
- SO4 · Sulfate ion · ion · 10 copies · chains A, B
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 709 | 0.74 | 0.80 | 89 | empty |
| 2 | 500 | 0.68 | 0.78 | 62 | empty |
| 3 | 68 | 0.66 | 0.93 | 24 | empty |
| 4 | 65 | 0.42 | 0.81 | 18 | empty |
| 5 | 85 | 0.35 | 0.75 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 2132 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide, 2 glycan (disulfide, N-glycosylation).
Compared structures
- 6I3F · Crystal structure of the complex of human angiotensinogen and renin at 2.55 ångström · the same entry in another collection · chain A against A, TM-score 1.00
- P01019 · AlphaFold monomer V2.0 prediction for angiotensinogen (P01019) · a predicted model of the same protein · chain A against A, TM-score 0.92
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 P01019
- Every structure of UniProt P00797
- Elsewhere: RCSB PDB 6I3F · PDBe 6I3F · UniProt P01019 · UniProt P00797
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