Structure of PDB 6kp7 Chain B

Receptor sequence

>6kp7B (length=533) Species: 5833 (Plasmodium falciparum)

CDVFDIYAICACCKVESKNEGKKNEVFNNYTFRGLGNKGVLPWKCISLDM
KYFRAVTTYVNESKYEKLKYKRCKYLNKNSKKLQNVVVMGRTNWESIPKK
FKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFILG
GSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIISVSDVYT
SNNTTLDFIIYKKTDDEEEDDFVYFNFNKENKNSIHPNDFQIYNSLKYKY
HPEYQYLNIIYDIMMNGNKQSDRTGVGVLSKFGYIMKFDLSQYFPLLTTK
KLFLRGIIEELLWFIRGETNGNTLLNKNVRIWEANGTREFLDNRKLFHRE
VNDLGPIYGFQWRHFGAEYTNMYDNYENKGVDQLKNIINLIKNDPTSRRI
LLCAWNVKDLDQMALPPCHILCQFYVFDGKLSCIMYQRSCDLGLGVPFNI
ASYSIFTHMIAQVCNLQPAQFIHVLGNAHVYNNHIDSLKIQLNRIPYPFP
TLKLNPDIKNIEDFTISDFTIQNYVHHEKISMD

3D structure

• PDB: 6kp7 6-Hydrophobic aromatic substituent pyrimethamine analogues as potential antimalarials for pyrimethamine-resistant Plasmodium falciparum.
• Chain: B
• 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): L41 D49 E310 W332 Y358 C418 R438 D441
• 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	UMP	B	R470 R471	R398 R399
BS02	NDP	B	C15 A16 L40 G44 V45 G105 R106 T107 N108 L127 S128 R129 N144 K145 L164 G166 S167 V168 V169 E172	C10 A11 L35 G39 V40 G90 R91 T92 N93 L112 S113 R114 N129 K130 L149 G151 S152 V153 V154 E157
BS03	UMP	B	R345 C490 H491 Q509 R510 S511 D513 N521 H551 Y553	R273 C418 H419 Q437 R438 S439 D441 N449 H479 Y481
BS04	DQ9	B	I14 C15 L46 D54 F58 R59 N108 I112 F116 L164	I9 C10 L41 D49 F53 R54 N93 I97 F101 L149	MOAD: Ki=0.41nM

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