Structure of PDB 8dh5 Chain I Binding Site BS04

Receptor Information
>8dh5 Chain I (length=837) Species: 10760 (Escherichia phage T7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NTINIAKNDFSDIELAAIPFNTLADHYGERLAREQLALEHESYEMGEARF
RKMFERQLKAGEVADNAAAKPLITTLLPKMIARINDWFEEVKAKRGKRPT
AFQFLQEIKPEAVAYITIKTTLACLTSADNTTVQAVASAIGRAIEDEARF
GRIRDLEAKHFKKNVEEQLNKRVGHVYKKAFMQVVEADMLSKGLLGGEAW
SSWHKEDSIHVGVRCIEMLIESTGMVSLHSETIELAPEYAEAIATRAGAL
AGISPMFQPCVVPPKPWTGITGGGYWANGRRPLALVRTHSKKALMRYEDV
YMPEVYKAINIAQNTAWKINKKVLAVANVITKWKHCPVEDIPKRAAAAVY
RKDKARKSRRISLEFMLEQANKFANHKAIWFPYNMDWRGRVYAVSMFNPQ
GNDMTKGLLTLAKGKPIGKEGYYWLKIHGANCAGVDKVPFPERIKFIEEN
HENIMACAKSPLENTWWAEQDSPFCFLAFCFEYAGVQHHGLSYNCSLPLA
FDGSCSGIQHFSAMLRDEVGGRAVNLLPSETVQDIYGIVAKKVNEILQAD
AINGTDNEVVTVTDENTGEISEKVKLGTKALAGQWLAYGVTRSVTKRSVM
TLAYGSKEFGFRQQVLEDTIQPAIDSGKGLMFTQPNQAAGYMAKLIWESV
SVTVVAAVEAMNWLKSAAKLLAAEVKDKKTGEILRKRCAVHWVTPDGFPV
WQEYKKPIQTRLNLMFLGQDSEIDAHKQESGIAPNFVHSQDGSHLRKTVV
WAHEKYGIESFALIHDSFGTIPADAANLFKAVRETMVDTYESCDVLADFY
DQFADQLHESQLDKMPALPAKGNLNLRDILESDFAFA
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 chain8dh5 Chain I Residue 901 [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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PDB8dh5 Structural basis of transcription recognition of a hydrophobic unnatural base pair by T7 RNA polymerase.
Resolution2.85 Å
Binding residue
(original residue number in PDB)		D471 Y571 K631 M635 Y639
Binding residue
(residue number reindexed from 1)		D436 Y536 K596 M600 Y604
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.6: DNA-directed RNA polymerase.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003899 DNA-directed 5'-3' RNA polymerase activity
GO:0016779 nucleotidyltransferase activity
GO:0034062 5'-3' RNA polymerase activity
Biological Process
GO:0006351 DNA-templated transcription
GO:0019083 viral transcription
GO:0039695 DNA-templated viral transcription
Cellular Component
GO:0000428 DNA-directed RNA polymerase complex

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8dh5, PDBe:8dh5, PDBj:8dh5
PDBsum8dh5
PubMed36635281
UniProtP00573|RPOL_BPT7 T7 RNA polymerase (Gene Name=1)

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