Structure of PDB 8wgm Chain B

Receptor sequence

>8wgmB (length=528) Species: 478864 (Plasmodium falciparum VS/1)

EQVCDVFDIYAICACCKVESNEVFNNYTFRGLGNKGVLPWKCISLDMKYF
RAVTTYVNESKYEKLKYKRCKYLNKETVDNVKLQNVVVMGRTNWESIPKK
FKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFILG
GSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIISVSDVYT
SNNTTLDFIIYKKTEEDDFVYFNFNKKNSIHPNDFQIYNSLKYKYHPEYQ
YLNIIYDIMMNGNKQSDRTGVGVLSKFGYIMKFDLSQYFPLLTTKKLFLR
GIIEELLWFIRGETNGNTLLNKNVRIWEANGTREFLDNRKLFHREVNDLG
PIYGFQWRHFGAEYTNMYDNYENKGVDQLKNIINLIKNDPTSRRILLCAW
NVKDLDQMALPPCHILCQFYVFDGKLSCIMYQRSCDLGLGVPFNIASYSI
FTHMIAQVCNLQPAQFIHVLGNAHVYNNHIDSLKIQLNRIPYPFPTLKLN
PDIKNIEDFTISDFTIQNYVHHEKISMD

3D structure

• PDB: 8wgm Flexible 2,4-diaminopyrimidine bearing a butyrolactone as Plasmodium falciparum dihydrofolate reductase inhibitors.
• Chain: B
• Resolution: 2.15 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	R393 R394
BS02	NDP	B	C15 A16 L40 G44 V45 L46 G105 R106 T107 N108 L127 S128 R129 T130 N144 L164 G166 S167 V168 E172	C13 A14 L32 G36 V37 L38 G90 R91 T92 N93 L112 S113 R114 T115 N129 L149 G151 S152 V153 E157
BS03	UMP	B	C490 H491 Q509 R510 S511 D513 N521 H551 Y553	C413 H414 Q432 R433 S434 D436 N444 H474 Y476
BS04	WCQ	B	I14 C15 L46 D54 M55 F58 P113 F116 L164	I12 C13 L38 D46 M47 F50 P98 F101 L149

External links

• PDB: RCSB:8wgm, PDBe:8wgm, PDBj:8wgm
• PDBsum: 8wgm
• PubMed: 39250850
• UniProt: A7UD81