Structure of PDB 3wry Chain D Binding Site BS02

Receptor Information
>3wry Chain D (length=432) Species: 12252 (Tobacco mosaic virus strain tomato/L) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLEQFHMATASSLIHKQMCSIVYTGPLKVQQMKNFIDSLVASLSAAVSNL
VKILKLETRQKFGVLDVASKRWLVKPSAKNHAWGVVETHARKYHVALLEH
DEFGIITCDNWRRVAVSSESVVYSDMAKLRTLRRLLKDGEPHVSSAKVVL
VDGVPGCGKTKEILSRVNFEEDLILVPGRQAAEMIRRRANASGIIVATKD
NVRTVDSFLMNYGKGARCQFKRLFIDEGLMLHTGCVNFLVEMSLCDIAYV
YGDTQQIPYINRVTGFPYPAHFAKLEVDEVETRRTTLRCPADVTHFLNQR
YEGHVMCTSSEKKSVSQEMVSGAASINPVSKPLKGKILTFTQSDKEALLS
RGYADVHTVHEVQGETYADVSLVRLTPTPVSIIARDSPHVLVSLSRHTKS
LKYYTVVMDPLVSIIRDLERVSSYLLDMYKVD
Ligand information
Ligand IDAGS
InChIInChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/t4-,6-,7-,10-/m1/s1
InChIKeyNLTUCYMLOPLUHL-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[C@@H](O)[C@H]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
ACDLabs 12.01O=P(O)(OP(=S)(O)O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
FormulaC10 H16 N5 O12 P3 S
NamePHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER;
ATP-GAMMA-S;
ADENOSINE 5'-(3-THIOTRIPHOSPHATE);
ADENOSINE 5'-(GAMMA-THIOTRIPHOSPHATE);
ADENOSINE-5'-DIPHOSPHATE MONOTHIOPHOSPHATE
ChEMBLCHEMBL131890
DrugBankDB02930
ZINCZINC000008295128
PDB chain3wry Chain D Residue 1201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3wry Structural basis for the recognition-evasion arms race between Tomato mosaic virus and the resistance gene Tm-1
Resolution2.3 Å
Binding residue
(original residue number in PDB)		P835 G836 C837 G838 K839 T840 K841 R868 R968 G1044 R1076
Binding residue
(residue number reindexed from 1)		P155 G156 C157 G158 K159 T160 K161 R188 R288 G364 R396
Annotation score4
Enzymatic activity
Enzyme Commision number 2.1.1.-
2.7.7.-
2.7.7.48: RNA-directed RNA polymerase.
3.6.4.13: RNA helicase.
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:3wry, PDBe:3wry, PDBj:3wry
PDBsum3wry
PubMed25092327
UniProtP03587|RDRP_TOML Replicase large subunit

[Back to BioLiP]