Structure of PDB 3hbb Chain A

Receptor sequence
>3hbbA (length=510) Species: 5693 (Trypanosoma cruzi) [Search protein sequence]
SLFKIRMPETVAEGTRLALRAFSLVVAVDERGGIGDGRSIPWNVPEDMKF
FRDVTTKLRGKNVKPSPAKRNAVVMGRKTWDSIPPKFRPLPGRLNVVLSS
TLTTQHLLDGLPDEHADSIVAVNGGLEQALQLLASPNYTPSIETVYCIGG
GSVYAEALRPPCVHLLQAIYRTTIRASESSCSVFFRVPESGTEAAAGIEW
QRETISEELTSANGNETKYYFEKLIPRNREEEQYLSLVDRIIREGNVKHD
RTGVGTLSIFGAQMRFSLRNNRLPLLTTKRVFWRGVCEELLWFLRGETYA
KKLSDKGVHIWDDNGSRAFLDSRGLTEYEEMDLGPVYGFQWRHFGAAYTH
HDANYDGQGVDQIKAIVETLKTNPDDRRMLFTAWNPSALPRMALPPCHLL
AQFYVSNGELSCMLYQRSCDMGLGVPFNIASYALLTILIAKATGLRPGEL
VHTLGDAHVYSNHVEPCNEQLKRVPRAFPYLVFRREREFLEDYEEGDMEV
IDYAPYPPIS
3D structure
PDB3hbb Structures of dihydrofolate reductase-thymidylate synthase of Trypanosoma cruzi in the folate-free state and in complex with two antifolate drugs, trimetrexate and methotrexate.
ChainA
Resolution3.0 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) I41 D48 E295 W317 Y343 C403 R423 D426
Catalytic site (residue number reindexed from 1) I40 D47 E289 W311 Y337 C397 R417 D420
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 NAP A V27 A28 I35 G38 R39 S40 I41 G77 R78 K79 T80 L99 S100 S101 G130 G131 I154 G156 G157 S158 Y160 V26 A27 I34 G37 R38 S39 I40 G76 R77 K78 T79 L98 S99 S100 G124 G125 I148 G150 G151 S152 Y154
BS02 TMQ A V26 I41 D48 M49 F52 I84 I154 V25 I40 D47 M48 F51 I83 I148
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:3hbb, PDBe:3hbb, PDBj:3hbb
PDBsum3hbb
PubMed19564691
UniProtQ27793|DRTS_TRYCR Bifunctional dihydrofolate reductase-thymidylate synthase

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