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MolNFT v1 · #140670 · protein

Crystal structure of kni-10343 bound plasmepsin II (pmii) from plasmodium falciparum

5YIA: “Crystal structure of kni-10343 bound plasmepsin II (pmii) from plasmodium falciparum”. X-ray diffraction, 3 ligands (8V9, CPS, PO4). MolNFT v1 #140670 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5YIA
Type
protein
Length
328 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q8I6V3
Ligands
8V9, CPS, PO4

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein328—Q8I6V3

Ligands and binding sites

  • 8V9 · (4R)-3-[(2S,3S)-3-[[(2R)-2-[2-(4-hydroxyphenyl) ethanoylamino]-3-methylsulfanyl-propanoyl]amino]-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
  • CPS · 3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate · ligand · chains A
  • PO4 · Phosphate ion · ion · chains A
  • GOL · Glycerol · additive · 3 copies · chains A

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

Compared structures

  • 5YIA · Crystal Structure of KNI-10343 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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