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Receptor Information

>3wry Chain C (length=434) 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]

SEEIESLEQFHMATASSLIHKQMCSIVYTGPLKVQQMKNFIDSLVASLSA
AVSNLVKILKDKFGVLDVASKRWLVKPSAKNHAWGVVETHARKYHVALLE
HDEFGIITCDNWRRVAVSSESVVYSDMAKLRTLRRLLKDGEPHVSSAKVV
LVDGVPGCGKTKEILSRVNFEEDLILVPGRQAAEMIRRRANASGIIVATK
DNVRTVDSFLMNYGKGARCQFKRLFIDEGLMLHTGCVNFLVEMSLCDIAY
VYGDTQQIPYINRVTGFPYPAHFAKLEVDEVETRRTTLRCPADVTHFLNQ
RYEGHVMCTSSEKKSVSQEMVSGAASINPVSKPLKGKILTFTQSDKEALL
SRGYADVHTVHEVQGETYADVSLVRLTPTPVSIIARDSPHVLVSLSRHTK
SLKYYTVVMDPLVSIIRDLERVSSYLLDMYKVDA

Ligand ID

AGS

InChI

InChI=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

InChIKey

NLTUCYMLOPLUHL-KQYNXXCUSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.6	c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
CACTVS 3.370	Nc1ncnc2n(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 3.370	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6	c1nc(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 12.01	O=P(O)(OP(=S)(O)O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O

Formula

C10 H16 N5 O12 P3 S

Name

PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER;
ATP-GAMMA-S;
ADENOSINE 5'-(3-THIOTRIPHOSPHATE);
ADENOSINE 5'-(GAMMA-THIOTRIPHOSPHATE);
ADENOSINE-5'-DIPHOSPHATE MONOTHIOPHOSPHATE

PDB chain

3wry Chain C Residue 1201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	3wry Structural basis for the recognition-evasion arms race between Tomato mosaic virus and the resistance gene Tm-1
Resolution	2.3 Å
Binding residue (original residue number in PDB)	G836 C837 G838 K839 T840 K841 R868 L967 R968 G1044 T1046 R1076
Binding residue (residue number reindexed from 1)	G157 C158 G159 K160 T161 K162 R189 L288 R289 G365 T367 R397
Annotation score	4

Enzyme Commision number

2.1.1.-
2.7.7.-
2.7.7.48: RNA-directed RNA polymerase.
3.6.4.13: RNA helicase.

PDB	RCSB:3wry, PDBe:3wry, PDBj:3wry
PDBsum	3wry
PubMed	25092327
UniProt	P03587\|RDRP_TOML Replicase large subunit

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Structure of PDB 3wry Chain C Binding Site BS03