GL1X · GenesisL1 explorer

MolNFT v1 · #92150 · protein

Human aminopeptidase N (CD13) in complex with angiotensin IV

4FYS: “Human aminopeptidase N (CD13) in complex with angiotensin IV”. X-ray diffraction, 3 ligands (NAG, BMA, SO4), 5 pockets (best druggability 0.83). MolNFT v1 #92150 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4FYS
Type
protein
Length
909 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Aminopeptidase N; Angiotensin IV
EC
3.4.11.2
UniProt
P15144, P01019
Ligands
NAG, BMA, SO4
Pockets
5 · best druggability 0.83

Structure

x-ray diffraction · 2 distinct chains · 46% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAminopeptidase N (EC 3.4.11.2)protein90346% helix, 20% strandP15144
CAngiotensin IVprotein60% helix, 17% strandP01019

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 9 copies · chains A
  • BMA · beta-D-mannopyranose · sugar
  • SO4 · Sulfate ion · ion · 11 copies · chains A

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

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19440.830.84109SO4
25550.800.8676empty
34020.650.7948SO4
4800.330.7415empty
5510.290.7516empty

Interfaces

1 interface between chains.

  • A–C · 609 Ų buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 7 glycan, 2 disulfide (N-glycosylation, disulfide).

Compared structures

  • 4FYS · Human aminopeptidase N (CD13) in complex with angiotensin IV · the same entry in another collection · chain A against A, TM-score 1.00
  • P15144 · AlphaFold monomer V2.0 prediction for aminopeptidase N (P15144) · a predicted model of the same protein · chain A against A, TM-score 0.99
  • P01019 · AlphaFold monomer V2.0 prediction for angiotensinogen (P01019) · a predicted model of the same protein · chain C against A, TM-score 0.74

Analyse

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