MolNFT v1 · #151968 · protein
Crystal structure of the complex of human angiotensinogen and renin at 2.55 ångström
6I3F: “Crystal structure of the complex of human angiotensinogen and renin at 2.55 ångström”. X-ray diffraction, 5 ligands (NAG, BMA, MAN), 7 pockets (best druggability 0.74). MolNFT v1 #151968 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6I3F
- Type
- protein
- Length
- 758 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- 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 · 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 Angstrom · the same entry in another collection · chain B against B, 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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