Structure of PDB 3um8 Chain B

Receptor sequence
>3um8B (length=542) Species: 5833 (Plasmodium falciparum) [Search protein sequence]
MMEQVCDVFDIYAICACCKVESKNEGKKNEVFNNYTFRGLGNKGVLPWKC
NSLDMKYFCAVTTYVNESKYEKLKYKRCKYLKLQNVVVMGRTSWESIPKK
FKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFIIG
GSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIISVSDVYT
SNNTTLDFIIYKKTNNDDEEEDDFVYFNFNKEKEEKNKNSIHPNDFQIYN
SLKYKYHPEYQYLNIIYDIMMNGNKQSDRTGVGVLSKFGYIMKFDLSQYF
PLLTTKKLFLRGIIEELLWFIRGETNGNTLLNKNVRIWEANGTREFLDNR
KLFHREVNDLGPIYGFQWRHFGAEYTNMYDNYENKGVDQLKNIINLIKND
PTSRRILLCAWNVKDLDQMALPPCHILCQFYVFDGKLSCIMYQRSCDLGL
GVPFNIASYSIFTHMIAQVCNLQPAQFIHVLGNAHVYNNHIDSLKIQLNR
IPYPFPTLKLNPDIKNIEDFTISDFTIQNYVHHEKISMDMAA
3D structure
PDB3um8 Combined Spatial Limitation around Residues 16 and 108 of Plasmodium falciparum Dihydrofolate Reductase Explains Resistance to Cycloguanil.
ChainB
Resolution2.6 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) L46 D54 E382 W404 Y430 C490 R510 D513
Catalytic site (residue number reindexed from 1) L46 D54 E316 W338 Y364 C424 R444 D447
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 1CY B I14 C15 A16 D54 F58 S108 I112 I164 I14 C15 A16 D54 F58 S93 I97 I149 BindingDB: Ki=1.5nM
BS02 NDP B C15 A16 L40 G44 V45 G105 R106 T107 S108 L127 S128 R129 T130 I164 G165 G166 S167 V168 Y170 E172 C15 A16 L40 G44 V45 G90 R91 T92 S93 L112 S113 R114 T115 I149 G150 G151 S152 V153 Y155 E157
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3um8, PDBe:3um8, PDBj:3um8
PDBsum3um8
PubMed22526319
UniProtA7UD81

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