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Drosophila angiotensin converting enzyme (ance) in complex with a phosphinic tripeptide fi

Analyse Drosophila angiotensin converting enzyme (ance) in complex with a phosphinic… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

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).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAngiotensin-converting enzyme (EC 3.4.15.1)protein59663% helix, 4% strandQ10714

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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16110.850.90663EF
26370.800.85733EF

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

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