Structure of PDB 4wc0 Chain B Binding Site BS01

Receptor Information
>4wc0 Chain B (length=350) Species: 224324 (Aquifex aeolicus VF5) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVGQIAKEMGLRAYIVGGVVRDILLGKEVWDVDFVVEGNAIELAKELARR
HGVNVHPFPEFGTAHLKIGKLKLEFATARREPASLKEDLIRRDFTINAMA
ISVNLEDYGTLIDYFGGLRDLKDKVIRVLHPVSFIEDPVRILRALRFAGR
LNFKLSRSTEKLLKQAVNLGLLKEAPRGRLINEIKLALREDRFLEILELY
RKYRVLEEIIEGFQWNEKVLQKLYALRKVVDWHALEFSEERIDYGWLYLL
ILISNLDYERGKHFLEEMSAPSWVRETYKFMKFKLGSLKEELKKAKENYE
VYRLLKPLHTSVLLLLMLEEELKEKIKLYLEKLRKVKERIEELKREIMNK
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 chain4wc0 Chain B Residue 401 [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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PDB4wc0 Measurement of Acceptor-T Psi C Helix Length of tRNA for Terminal A76-Addition by A-Adding Enzyme.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		G17 G18 R21 R104 D105 N109 D149 R152 R155 R162
Binding residue
(residue number reindexed from 1)		G17 G18 R21 R92 D93 N97 D137 R140 R143 R150
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.7.-
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0016779 nucleotidyltransferase activity
Biological Process
GO:0006396 RNA processing

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:4wc0, PDBe:4wc0, PDBj:4wc0
PDBsum4wc0
PubMed25914059
UniProtO66728|AATNT_AQUAE A-adding tRNA nucleotidyltransferase (Gene Name=aq_411)

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