MolNFT v1 · #87742 · protein
Drosophila angiotensin converting enzyme (ance) in complex with a phosphinic tripeptide fi
4CA7 · Angiotensin-converting enzyme: “Drosophila angiotensin converting enzyme (ance) in complex with a phosphinic tripeptide fi”. X-ray diffraction, 5 ligands (3EF, NAG, BMA), 2 pockets (best druggability 0.85). MolNFT v1 #87742 on…
- PDB
- 4CA7
- Type
- protein
- Length
- 596 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Angiotensin-converting enzyme
- EC
- 3.4.15.1
- UniProt
- Q10714
- Ligands
- 3EF, NAG, BMA, MAN, ZN
- Pockets
- 2 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 63% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Angiotensin-converting enzyme (EC 3.4.15.1) | protein | 596 | 63% helix, 4% strand | Q10714 |
Ligands and binding sites
- 3EF · N-{(2S)-3-[(S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-tyrosine · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A
- BMA · beta-D-mannopyranose · sugar · 2 copies · chains A
- MAN · alpha-D-mannopyranose · sugar · 2 copies
- ZN · Zinc ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 611 | 0.85 | 0.90 | 66 | 3EF |
| 2 | 637 | 0.80 | 0.85 | 73 | 3EF |
Modifications
Observed in the structure: 4 disulfide, 3 glycan (disulfide, N-glycosylation).
Compared structures
- 4CA7 · Drosophila Angiotensin converting enzyme (AnCE) in complex with a phosphinic tripeptide FI · the same entry in another collection · chain A against A, TM-score 1.00
- Q10714 · AlphaFold monomer V2.0 prediction for angiotensin-converting enzyme (Q10714) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q10714
- Elsewhere: RCSB PDB 4CA7 · PDBe 4CA7 · UniProt Q10714
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