Structure of PDB 1s0v Chain A Binding Site BS04

Receptor Information
>1s0v Chain A (length=857) 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
SSWHKEDSIHVGVRCIEMLIESTGMVSLHRQNAGVVGQDSETIELAPEYA
EAIATRAGALAGISPMFQPCVVPPKPWTGITGGGYWANGRRPLALVRTHS
KKALMRYEDVYMPEVYKAINIAQNTAWKINKKVLAVANVITKWKHCPVED
IPAIEALTAWKRAAAAVYRKDKARKSRRISLEFMLEQANKFANHKAIWFP
YNMDWRGRVYAVSMFNPQGNDMTKGLLTLAKGKPIGKEGYYWLKIHGANC
AGVDKVPFPERIKFIEENHENIMACAKSPLENTWWAEQDSPFCFLAFCFE
YAGVQHHGLSYNCSLPLAFDGSCSGIQHFSAMLRDEVGGRAVNLLPSETV
QDIYGIVAKKVNEILQADAINGTDNEVVTVTDENTGEISEKVKLGTKALA
GQWLAYGVTRSVTKRSVMTLAYGSKEFGFRQQVLEDTIQPAIDSGKGLMF
TQPNQAAGYMAKLIWESVSVTVVAAVEAMNWLKSAAKLLAAEVKDKKTGE
ILRKRCAVHWVTPDGFPVWQEYKKPIQTRLNLMFLGQFRDSEIDAHKQES
GIAPNFVHSQDGSHLRKTVVWAHEKYGIESFALIHDSFGTIPADAANLFK
AVRETMVDTYESCDVLADFYDQFADQLHESQLDKMPALPAKGNLNLRDIL
ESDFAFA
Ligand information
Ligand IDAPC
InChIInChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-29(19,20)4-30(21,22)28-31(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)(H2,23,24,25)/t5-,7-,8-,11-/m1/s1
InChIKeyCAWZRIXWFRFUQB-IOSLPCCCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)C[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)O)N
ACDLabs 10.04O=P(O)(O)OP(=O)(O)CP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)C[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
FormulaC11 H18 N5 O12 P3
NameDIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER;
ALPHA,BETA-METHYLENEADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL132722
DrugBankDB02596
ZINCZINC000008295117
PDB chain1s0v Chain A Residue 2000 [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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PDB1s0v Structural basis for substrate selection by t7 RNA polymerase.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		K472 Y571 R627 K631 R632 M635 T636
Binding residue
(residue number reindexed from 1)		K455 Y554 R610 K614 R615 M618 T619
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
Biological Process
GO:0006351 DNA-templated transcription

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1s0v, PDBe:1s0v, PDBj:1s0v
PDBsum1s0v
PubMed15016373
UniProtP00573|RPOL_BPT7 T7 RNA polymerase (Gene Name=1)

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