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MolNFT v1 · #140674 · protein

Crystal structure of kni-10742 bound plasmepsin II (pmii) from plasmodium falciparum

5YIE: “Crystal structure of kni-10742 bound plasmepsin II (pmii) from plasmodium falciparum”. X-ray diffraction, 3 ligands (CPS, 8VF, NA). MolNFT v1 #140674 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5YIE
Type
protein
Length
327 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q8I6V3
Ligands
CPS, 8VF, NA

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein327—Q8I6V3

Ligands and binding sites

  • CPS · 3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate · ligand · 2 copies · chains A
  • 8VF · (4R)-3-[(2S,3S)-3-[2-[4-[2-azanylethyl(ethyl)amino]-2, 6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-4-carboxamide · ligand · chains A
  • NA · Sodium ion · metal · chains A

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

Compared structures

  • 5YIE · Crystal Structure of KNI-10742 bound Plasmepsin II (PMII) from Plasmodium falciparum · the same entry in another collection · chain A against A, TM-score 1.00

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