Structure of PDB 5t0l Chain A

Receptor sequence

>5t0lA (length=508) Species: 5811 (Toxoplasma gondii) [Search protein sequence]

PVCLVVAMTPKRGIGINNGLPWPHLTTDFKHFSRVTKTTPASRFNAVVMG
RKTWESMPRKFRPLVDRLNIVVSSSLKEEDIAAEKPQAEGQQRVRVCASL
PAALSLLEEEYKDSVDQIFVVGGAGLYEAALSLGVASHLYITRVAREFPC
DVFFPAFPGDDILSNKATYRPIFISKTFSDNGVPYDFVVLEKRRAAAIAP
VLAWMDELIRAVPHVHFRGHEEFQYLDLIADIINNGRTMDDRTGVGVISK
FGCTMRYSLDQAFPLLTTKRVFWKGVLEELLWFIRGDTNANHLSEKGVKI
WDKNVTREFLDSRNLPHREVGDIGPGYGFQWRHFGAAYKDMHTDYTGQGV
DQLKNVIQMLRTNPTDRRMLMTAWNPAALDEMALPPCHLLCQFYVNDQKE
LSCIMYQRSCDVGLGVPFNIASYSLLTLMVAHVCNLKPKEFIHFMGNTHV
YTNHVEALKEQLRREPRPFPIVNILNKERIKEIDDFTAEDFEVVGYVPHG
RIQMEMAV

3D structure

PDB

5t0l Discovery of Potent and Selective Leads against Toxoplasma gondii Dihydrofolate Reductase via Structure-Based Design.

Chain

Resolution

3.13 Å

3D
structure

Catalytic site residues are labeled in the structure
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Enzymatic activity

Catalytic site (original residue number in PDB)	L23 D31 E381 W403 Y429 C489 R510 D513
Catalytic site (residue number reindexed from 1)	L20 D28 E279 W301 Y327 C387 R408 D411
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	A	R344 C489 R510 S511 D513 N521 H551 Y553	R242 C387 R408 S409 D411 N419 H449 Y451
BS02	NDP	A	A10 I17 N21 G22 G80 R81 K82 T83 S86 V102 S103 S104 S105 V151 G153 A154 L156	A7 I14 N18 G19 G50 R51 K52 T53 S56 V72 S73 S74 S75 V121 G123 A124 L126
BS03	73X	A	V8 V9 D31 F32 F35 M87 P88 F91 V151	V5 V6 D28 F29 F32 M57 P58 F61 V121	BindingDB: IC50=17nM
BS04	UMP	A	R469 R470	R367 R368

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

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Molecular Function

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Biological Process

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Cellular Component

External links

PDB	RCSB:5t0l, PDBe:5t0l, PDBj:5t0l
PDBsum	5t0l
PubMed	27994750
UniProt	Q07422\|DRTS_TOXGO Bifunctional dihydrofolate reductase-thymidylate synthase

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