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MolNFT v1 · #147345 · protein

ERAP2 bound to aryl sulfonamide uncompetitive inhibitor

6EA4: “ERAP2 bound to aryl sulfonamide uncompetitive inhibitor”. X-ray diffraction, 5 ligands (J2G, NAG, MAN). MolNFT v1 #147345 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6EA4
Type
protein
Length
1,756 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q6P179
Ligands
J2G, NAG, MAN, BMA, ZN

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein885—Q6P179
B—protein871—Q6P179

Ligands and binding sites

  • J2G · 4-methoxy-3-{[2-(piperidin-1-yl)-4-(trifluoromethyl) phenyl]sulfamoyl}benzoic acid · ligand · 2 copies · chains A, B
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 21 copies · chains A, B
  • MAN · alpha-D-mannopyranose · sugar · 6 copies · chains B, A
  • BMA · beta-D-mannopyranose · sugar · 4 copies · chains B, A
  • ZN · Zinc ion · metal · 2 copies · chains A, B
  • MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 2 copies · chains A, B
  • IMD · Imidazole · additive · 2 copies · chains A, B
  • EDO · 1,2-ethanediol · additive · 2 copies · chains A, B
  • PGE · Triethylene glycol · additive · chains A

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

Compared structures

  • 6EA4 · ERAP2 bound to Aryl Sulfonamide Uncompetitive Inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
  • Q6P179 · AlphaFold monomer V2.0 prediction for endoplasmic reticulum aminopeptidase 2 (Q6P179) · a predicted model of the same protein · chain B against A, TM-score 1.00

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