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Receptor Information

>3wrx Chain D (length=431) 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
LKYYTVVMDPLVSIIRDLERVSSYLLDMYKV

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

3wrx Chain D 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	3wrx Structural basis for the recognition-evasion arms race between Tomato mosaic virus and the resistance gene Tm-1
Resolution	2.5 Å
Binding residue (original residue number in PDB)	P835 G836 G838 K839 T840 K841 R868 R968 G1044 T1046 R1076
Binding residue (residue number reindexed from 1)	P155 G156 G158 K159 T160 K161 R188 R288 G364 T366 R396
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:3wrx, PDBe:3wrx, PDBj:3wrx
PDBsum	3wrx
PubMed	25092327
UniProt	P03587\|RDRP_TOML Replicase large subunit

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Structure of PDB 3wrx Chain D Binding Site BS02