Structure of PDB 5ztb Chain B Binding Site BS04

Receptor Information
>5ztb Chain B (length=311) Species: 262724 (Thermus thermophilus HB27) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VCKVCGQKAQVEMRSRGLALCREHYLDWFVKETERAIRRHRMLLPGERVL
VAVSGGKDSLALWDVLSRLGYQAVGLHIELGIGEYSKRSLEVTQAFARER
GLELLVVDLKEAYGFGVPELARLSGRVACSACGLSKRYIINQVAVEEGFR
VVATGHNLDDEAAVLFGNLLNPTLSRQGPVLPEKPGLAARVKPFYRFSER
EVLSYTLLRGIRYLHEECPNAKGAKSLLYKEALNLVERSMPGAKLRFLDG
FLEKIRPRLDEVALRECERCGYPTTGAVCAFCRMWDAVYRRAKKRKLLPE
EVSFRPRVKPL
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain5ztb Chain B Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5ztb The [4Fe-4S] cluster of sulfurtransferase TtuA desulfurizes TtuB during tRNA modification in Thermus thermophilus.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		A53 V54 S55 G57 K58 D59 S60 I79 K137 T155 G156 H157
Binding residue
(residue number reindexed from 1)		A52 V53 S54 G56 K57 D58 S59 I78 K136 T154 G155 H156
Annotation score5
Enzymatic activity
Enzyme Commision number 2.8.1.15: tRNA-5-methyluridine(54) 2-sulfurtransferase.
Gene Ontology
Molecular Function
GO:0000049 tRNA binding
GO:0005524 ATP binding
GO:0016740 transferase activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0002098 tRNA wobble uridine modification
GO:0002143 tRNA wobble position uridine thiolation
GO:0008033 tRNA processing
GO:0034227 tRNA thio-modification
Cellular Component
GO:0002144 cytosolic tRNA wobble base thiouridylase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5ztb, PDBe:5ztb, PDBj:5ztb
PDBsum5ztb
PubMed32265486
UniProtQ72LF3|TTUA_THET2 tRNA-5-methyluridine(54) 2-sulfurtransferase (Gene Name=ttuA)

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