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MolNFT v1 · #61798 · protein

Structure of human ece-1 complexed with phosphoramidon

3DWB · Endothelin-converting enzyme 1: “Structure of human ece-1 complexed with phosphoramidon”. X-ray diffraction, 3 ligands (5HD, RDF, ZN), 10 pockets (best druggability 0.71). MolNFT v1 #61798 on GenesisL1: 3D structure, binding sites…

PDB
3DWB
Type
protein
Length
660 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Endothelin-converting enzyme 1
EC
3.4.24.71
UniProt
P42892
Ligands
5HD, RDF, ZN
Pockets
10 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 57% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEndothelin-converting enzyme 1 (EC 3.4.24.71)protein66057% helix, 8% strandP42892

Ligands and binding sites

  • 5HD · 5-(2-hydroxyethyl)nonane-1,9-diol · ligand · chains A
  • RDF · N-alpha-L-rhamnopyranosyloxy(hydroxyphosphinyl)-L-leucyl-L-tryptophan · ligand · chains A
  • ZN · Zinc ion · metal · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13890.710.8245RDF
27290.700.77595HD
32350.590.7925empty
42330.560.7836empty
51550.510.7929empty

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 3DWB · structure of human ECE-1 complexed with phosphoramidon · the same entry in another collection · chain A against A, TM-score 1.00
  • P42892 · AlphaFold monomer V2.0 prediction for endothelin-converting enzyme 1 (P42892) · a predicted model of the same protein · chain A against A, TM-score 0.99

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