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A new crystal structure of the drosophila melanogaster angiotensin converting enzyme homologue ance.

Analyse A new crystal structure of the drosophila melanogaster angiotensin converting… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5A2R
Type
protein
Length
597 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
MLT, NAG, ZN
Pockets
3 · best druggability 0.86

Structure

x-ray diffraction · 1 distinct chain · 64% helix, 3% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAngiotensin-converting enzyme (EC 3.4.15.1)protein59764% helix, 3% strandQ10714

Ligands and binding sites

  • MLT · D-malate · ligand · chains A
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A
  • ZN · Zinc ion · metal · chains A
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15800.860.9266MLT
21140.640.8819empty
3690.560.8811empty

Modifications

Observed in the structure: 4 disulfide, 2 glycan (disulfide, N-glycosylation).

Compared structures

  • 5A2R · A New Crystal Structure of the Drosophila melanogaster Angiotensin Converting Enzyme… · 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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