Research workbench
Native human angiotensin converting enzyme-related carboxypeptidase (ACE2)
Analyse Native human angiotensin converting enzyme-related carboxypeptidase (ACE2) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1R42
- Type
- protein
- Length
- 655 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Angiotensin I converting enzyme 2; Disordered segment of collectrin homology domain
- Ligands
- NAG, ZN, CL
- Pockets
- 3 · best druggability 0.70
Structure
x-ray diffraction · 5 distinct chains · 57% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Angiotensin I converting enzyme 2 | protein | 597 | 59% helix, 5% strand | — |
| B | Disordered segment of collectrin homology domain | protein | 6 | 0% helix, 17% strand | — |
| C | Disordered segment of collectrin homology domain | protein | 20 | 0% helix, 20% strand | — |
| D | Disordered segment of collectrin homology domain | protein | 18 | 83% helix, 0% strand | — |
| E | Disordered segment of collectrin homology domain | protein | 14 | 21% helix, 29% strand | — |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains A
- ZN · Zinc ion · metal · chains A
- CL · Chloride ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 541 | 0.70 | 0.79 | 62 | empty |
| 2 | 680 | 0.68 | 0.76 | 72 | empty |
| 3 | 318 | 0.67 | 0.82 | 38 | empty |
Interfaces
7 interfaces between chains.
- C–E · 232 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 182 Ų buried · 7 hydrogen bonds · protein-protein
- D–E · 171 Ų buried · 0 hydrogen bonds · protein-protein
- A–C · 167 Ų buried · 0 hydrogen bonds · protein-protein
- A–E · 107 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide, 3 glycan (disulfide, N-glycosylation).
Compared structures
- 1R42 · Native Human Angiotensin Converting Enzyme-Related Carboxypeptidase (ACE2) · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Elsewhere: RCSB PDB 1R42 · PDBe 1R42
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