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MolNFT v1 · #187938 · protein

Structure of MERS 3CL protease in complex with inhibitor 14C

7T41: “Structure of MERS 3CL protease in complex with inhibitor 14C”. X-ray diffraction, 2 ligands (FWI, FZI). MolNFT v1 #187938 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7T41
Type
protein
Length
302 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
K9N638
Ligands
FWI, FZI

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein302—K9N638

Ligands and binding sites

  • FWI · (1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid · ligand · chains A
  • FZI · (1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid · ligand · chains A

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

Compared structures

  • 7T41 · Structure of MERS 3CL protease in complex with inhibitor 14c · the same entry in another collection · chain A against A, TM-score 1.00

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