Structure of PDB 5cyr Chain B Binding Site BS01

Receptor Information
>5cyr Chain B (length=664) Species: 83810 (Thosea asigna virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PTRLSLEAMLAERAMVARQDLAGLKRKLAGADRVLAPQSPEQCGRESAQA
QARSVTSELKSAVKEAQGLEHQTLDFLEQLGEYPVCGILHGDHPVHPSGT
HNNNGKVSVKRQFAAGVNTSDALTCAFRFEDSDLVRETALKTTYTDGTWA
GFVQRLKMQTTRKCVQEKVSRKLLKQLFPYDPQKLVDVSGELSELVLGIK
TNAIASAGPPYWRTKRDALPDMLDCVLPLLYDHIVRKDLTTLRNKHPELF
LAECKNKTDRYEVESLGEKTRPYFSHPFHLSALVSVLSQSFSGALKIMTE
DSTSFNAYGFSWTNGGAEDLAIWARQAGEAGKKPPRIACYGDDTDIYYRK
DGKLYRICPDFKQMDGSVDATTIEAVVDYVVDAHVKQYPTARQFWEEVGK
LWVEMATQSPFLIDGTKVYRKMQKDGLMTGVVGTTLFDTVKSALAYNDWA
DQLMFGSLNLLEEKYAIEFFKNKHGLVIKEGTWKPALVNEDPGFGELWTE
QKFLGLQLKVVRRENEKVYVPNLPFEDWLTMWVTPRSKYRSKETETMRER
TLFDRARGLLVTGAVFDERARGLMGAVINSTAPEVVCMRVQEGGGRGAPP
AYAFLTRDGVFEFPISDGYPSYDWVVSLYSRDHPCDMPRVFPEAATLIAS
YRKQVMDTRVVIKE
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 chain5cyr Chain B Residue 701 [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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PDB5cyr The Structure of the RNA-Dependent RNA Polymerase of a Permutotetravirus Suggests a Link between Primer-Dependent and Primer-Independent Polymerases.
Resolution3.504 Å
Binding residue
(original residue number in PDB)		R164 K278 R280 D351 D352 Q372 K488 G514 Y611 F613
Binding residue
(residue number reindexed from 1)		R155 K269 R271 D342 D343 Q363 K479 G505 Y602 F604
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links