Structure of PDB 3g5r Chain A Binding Site BS02

Receptor Information
>3g5r Chain A (length=420) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MERVNVVGAGLAGSEAAWTLLRLGVPVRLFEMRPKRMTPAHGTDRFAEIV
CSNSLGGEGETNAKGLLQAEMRRAGSLVMEAADLARVPAGGALAVDREEF
SGYITERLTGHPLLEVVREEVREIPPGITVLATGPLTSEALAEALKRRFG
DHFLAYYDAASPIVLYESIDLTKCFRAGRYGQSADYLNCPMTEEEYRRFH
QALLEACVPVEELARRGYQTLLFGPMKPVGLVDPRTGKEPFAVVQLRQED
KAGRMWSLVGFQTGLKWPEQKRLIQMIPGLENAEIVRYGVMHRNTYLNAP
RLLGETLEFREAEGLYAAGVLAGVEGYLESAATGFLAGLNAARKALGLPP
VAPPEESMLGGLVRYLATANPEGFQPMYANWGLVPPVEGRMGKKEKRQAM
YRRGLEAFSAWLSGLNPPLP
Ligand information
Ligand IDTHG
InChIInChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t11-,12-/m0/s1
InChIKeyMSTNYGQPCMXVAQ-RYUDHWBXSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N
CACTVS 3.341NC1=NC2=C(N[CH](CNc3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)CN2)C(=O)N1
OpenEye OEToolkits 1.5.0c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CNC3=C(N2)C(=O)NC(=N3)N
ACDLabs 10.04O=C(O)C(NC(=O)c1ccc(cc1)NCC3NC=2C(=O)NC(=NC=2NC3)N)CCC(=O)O
CACTVS 3.341NC1=NC2=C(N[C@@H](CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CN2)C(=O)N1
FormulaC19 H23 N7 O6
Name(6S)-5,6,7,8-TETRAHYDROFOLATE
ChEMBL
DrugBankDB02031
ZINCZINC000004228237
PDB chain3g5r Chain A Residue 445 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3g5r Atomic structure of a folate/FAD-dependent tRNA T54 methyltransferase
Resolution1.6 Å
Binding residue
(original residue number in PDB)		H308 N310
Binding residue
(residue number reindexed from 1)		H292 N294
Annotation score4
Enzymatic activity
Enzyme Commision number 2.1.1.74: methylenetetrahydrofolate--tRNA-(uracil(54)-C(5))-methyltransferase [NAD(P)H-oxidizing].
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0047151 tRNA (uracil(54)-C5)-methyltransferase activity, 5,10-methylenetetrahydrofolate-dependent
GO:0050660 flavin adenine dinucleotide binding
Biological Process
GO:0002098 tRNA wobble uridine modification
GO:0008033 tRNA processing
GO:0030488 tRNA methylation
GO:0032259 methylation
Cellular Component
GO:0005737 cytoplasm
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:3g5r, PDBe:3g5r, PDBj:3g5r
PDBsum3g5r
PubMed19416846
UniProtQ5SID2|TRMFO_THET8 Methylenetetrahydrofolate--tRNA-(uracil-5-)-methyltransferase TrmFO (Gene Name=trmFO)

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