Structure of PDB 6kp7 Chain A

Receptor sequence

>6kp7A (length=520) Species: 5833 (Plasmodium falciparum)

QVCDVFDIYAICACCKVESEVFNNYTFRGLGNKGVLPWKCISLDMKYFRA
VTTYVNESKYEKLKYKRCKYLNKKLQNVVVMGRTNWESIPKKFKPLSNRI
NVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFILGGSVVYQEF
LEKKLIKKIYFTRINSTYECDVFFPEINENEYQIISVSDVYTSNNTTLDF
IIYKKTEEDDFVYFNFNKKNSIHPNDFQIYNSLKYKYHPEYQYLNIIYDI
MMNGNKQSDRTGVGVLSKFGYIMKFDLSQYFPLLTTKKLFLRGIIEELLW
FIRGETNGNTLLNKNVRIWEANGTREFLDNRKLFHREVNDLGPIYGFQWR
HFGAEYTNMYDNYENKGVDQLKNIINLIKNDPTSRRILLCAWNVKDLDQM
ALPPCHILCQFYVFDGKLSCIMYQRSCDLGLGVPFNIASYSIFTHMIAQV
CNLQPAQFIHVLGNAHVYNNHIDSLKIQLNRIPYPFPTLKLNPDIKNIED
FTISDFTIQNYVHHEKISMD

3D structure

• PDB: 6kp7 6-Hydrophobic aromatic substituent pyrimethamine analogues as potential antimalarials for pyrimethamine-resistant Plasmodium falciparum.
• Chain: A
• Resolution: 1.97 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): L46 D54 E382 W404 Y430 C490 R510 D513
• Catalytic site (residue number reindexed from 1): L36 D44 E297 W319 Y345 C405 R425 D428
• Enzyme Commision number: 1.5.1.3: dihydrofolate reductase.
  2.1.1.45: thymidylate synthase.

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	NDP	A	C15 A16 L40 G44 V45 G105 R106 T107 N108 L127 S128 R129 T130 N144 L164 G166 S167 V168 V169 Y170 E172	C12 A13 L30 G34 V35 G82 R83 T84 N85 L104 S105 R106 T107 N121 L141 G143 S144 V145 V146 Y147 E149
BS02	UMP	A	R345 C490 H491 Q509 R510 S511 D513 N521 H551 Y553	R260 C405 H406 Q424 R425 S426 D428 N436 H466 Y468
BS03	DQ9	A	I14 C15 A16 L46 D54 M55 F58 R59 N108 F116 L119 L164	I11 C12 A13 L36 D44 M45 F48 R49 N85 F93 L96 L141	MOAD: Ki=0.41nM
BS04	UMP	A	R470 R471	R385 R386

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0004146 dihydrofolate reductase activity
• GO:0004799 thymidylate synthase activity
• GO:0008168 methyltransferase activity
• GO:0016491 oxidoreductase activity
• GO:0016741 transferase activity, transferring one-carbon groups

Biological Process

• GO:0006231 dTMP biosynthetic process
• GO:0006730 one-carbon metabolic process
• GO:0009165 nucleotide biosynthetic process
• GO:0032259 methylation
• GO:0046654 tetrahydrofolate biosynthetic process

Cellular Component

• GO:0005739 mitochondrion
• GO:0005829 cytosol

External links

• PDB: RCSB:6kp7, PDBe:6kp7, PDBj:6kp7
• PDBsum: 6kp7
• PubMed: 31685330
• UniProt: D9N170