Structure of PDB 7f3z Chain B

Receptor sequence

>7f3zB (length=548) Species: 5833 (Plasmodium falciparum)

MMEQVCDVFDIYAICACCKVESKNEGKKNEVFNNYTFRGLGNKGVLPWKC
NSLDMKYFRAVTTYVNESKYEKLKYKRCKYLNKETSKKLQNVVVMGRTNW
ESIPKKFKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYY
KCFIIGGSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIIS
VSDVYTSNNTTLDFIIYKKTNNDDEEEDDFVYFNFNKEKEEKNKNSIHPN
DFQIYNSLKYKYHPEYQYLNIIYDIMMNGNKQSDRTGVGVLSKFGYIMKF
DLSQYFPLLTTKKLFLRGIIEELLWFIRGETNGNTLLNKNVRIWEANGTR
EFLDNRKLFHREVNDLGPIYGFQWRHFGAEYTNMYDNYENKGVDQLKNII
NLIKNDPTSRRILLCAWNVKDLDQMALPPCHILCQFYVFDGKLSCIMYQR
SCDLGLGVPFNIASYSIFTHMIAQVCNLQPAQFIHVLGNAHVYNNHIDSL
KIQLNRIPYPFPTLKLNPDIKNIEDFTISDFTIQNYVHHEKISMDMAA

3D structure

• PDB: 7f3z MANORAA: A machine learning platform to guide protein-ligand design by anchors and influential distances.
• Chain: B
• Resolution: 2.6 Å

Enzymatic activity

• 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	R410 R411
BS02	NDP	B	A16 L40 G44 V45 L46 G105 R106 T107 N108 L127 S128 R129 T130 N144 I164 G165 G166 S167 V168 V169 Y170 E172	A16 L40 G44 V45 L46 G96 R97 T98 N99 L118 S119 R120 T121 N135 I155 G156 G157 S158 V159 V160 Y161 E163
BS03	UMP	B	R345 C490 H491 R510 S511 D513 N521 H551 Y553	R285 C430 H431 R450 S451 D453 N461 H491 Y493
BS04	TOP	B	I14 C15 A16 L46 D54 M55 F58 P113 I164	I14 C15 A16 L46 D54 M55 F58 P104 I155	BindingDB: Ki=10.3nM,IC50=10nM

Gene Ontology

Molecular Function

• 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:7f3z, PDBe:7f3z, PDBj:7f3z
• PDBsum: 7f3z
• PubMed: 34614393
• UniProt: P13922|DRTS_PLAFK Bifunctional dihydrofolate reductase-thymidylate synthase