Structure of PDB 3g5s Chain A Binding Site BS02

Receptor Information
>3g5s Chain A (length=424) 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
DHFLAYYDAASPIVLYESIDLTKCFRAGRYYLNCPMTEEEYRRFHQALLE
AQRHTPHFEACVPVEELARRGYQTLLFGPMKPVGLVDPRTGKEPFAVVQL
RQEDKAGRMWSLVGFQTGLKWPEQKRLIQMIPGLENAEIVRYGVMHRNTY
LNAPRLLGETLEFREAEGLYAAGVLAGVEGYLESAATGFLAGLNAARKAL
GLPPVAPPEESMLGGLVRYLATANPEGFQPMYANWGLVPPVEGRMGKKEK
RQAMYRRGLEAFSAWLSGLNPPLP
Ligand information
Ligand IDGSH
InChIInChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
InChIKeyRWSXRVCMGQZWBV-WDSKDSINSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CS
OpenEye OEToolkits 1.7.6C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370N[CH](CCC(=O)N[CH](CS)C(=O)NCC(O)=O)C(O)=O
CACTVS 3.370N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N
FormulaC10 H17 N3 O6 S
NameGLUTATHIONE
ChEMBLCHEMBL1543
DrugBankDB00143
ZINCZINC000003830891
PDB chain3g5s Chain A Residue 445 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3g5s Atomic structure of a folate/FAD-dependent tRNA T54 methyltransferase
Resolution1.05 Å
Binding residue
(original residue number in PDB)		A155 A159 S161 C223 Q278 Y312 G389 Q391
Binding residue
(residue number reindexed from 1)		A155 A159 S161 C211 Q266 Y300 G377 Q379
Annotation score1
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3g5s, PDBe:3g5s, PDBj:3g5s
PDBsum3g5s
PubMed19416846
UniProtQ5SID2|TRMFO_THET8 Methylenetetrahydrofolate--tRNA-(uracil-5-)-methyltransferase TrmFO (Gene Name=trmFO)

[Back to BioLiP]