Structure of PDB 8yq9 Chain B

Receptor sequence

>8yq9B (length=520) Species: 5833 (Plasmodium falciparum)

QVCDVFDIYAICACCKVESNEVFNNYTFRGLGNKGVLPWKCISLDMKYFR
AVTTYVNESKYEKLKYKRCKYLNKKLQNVVVMGRTNWESIPKKFKPLSNR
INVILSRTLKKDVYIINKVEDLIVLLGKLNYYKCFILGGSVVYQEFLEKK
LIKKIYFTRINSTYECDVFFPEINENEYQIISVSDVYTSNNTTLDFIIYK
KTDDEEEDDFVYFNFNKEKNSIHPNDFQIYNSLKYKYHPEYQYLNIIYDI
MMNGNKQSDRTGVGVLSKFGYIMKFDLSQYFPLLTTKKLFLRGIIEELLW
FIRGETNGNTLLNKNVRIWEANGTREFLDNRKLFHREVNDLGPIYGFQWR
HFGAEYTNMYDNYENKGVDQLKNIINLIKNDPTSRRILLCAWNVKDLDQM
ALPPCHILCQFYVFDGKLSCIMYQRSCDLGLGVPFNIASYSIFTHMIAQV
CNLQPAQFIHVLGNAHVYNNHIDSLKIQLNRIPYPFPTLKLNPDIKNIED
FTISDFTIQNYVHHEKISMD

3D structure

• PDB: 8yq9 Novel flexible biphenyl Pf DHFR inhibitors with improved antimalarial activity.
• Chain: B
• Resolution: 2.4 Å

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	UMP	B	R470 R471	R385 R386
BS02	NDP	B	C15 A16 L40 G44 V45 L46 G105 R106 T107 N108 L127 S128 R129 T130 N144 L164 G166 S167 V168 E172	C12 A13 L31 G35 V36 L37 G83 R84 T85 N86 L105 S106 R107 T108 N117 L137 G139 S140 V141 E145
BS03	A1LZT	B	I14 C15 L46 D54 M55 F58 F116 L164	I11 C12 L37 D45 M46 F49 F94 L137
BS04	UMP	B	R345 C490 H491 R510 S511 D513 N521 H551 Y553	R260 C405 H406 R425 S426 D428 N436 H466 Y468

External links

• PDB: RCSB:8yq9, PDBe:8yq9, PDBj:8yq9
• PDBsum: 8yq9
• PubMed: 39026651
• UniProt: D9N170