Structure of PDB 2jh8 Chain A Binding Site BS01

Receptor Information
>2jh8 Chain A (length=613) Species: 10900 (Bluetongue virus (serotype 10 / American isolate)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PEPHAVLYVTNELSHIVKDGFLPIWKLTGDESLNDLWLENGKYATDVYAY
GDVSKWTIRQLRGHGFIFISTHKNVQLADIIKTVDVRIPREVARSHDMKA
FENEIGRRRIRMRKGFGDALRNYAFKMAIEFHGSEAETLNDANPRLHKIY
GMPEIPPLYMEYAEIGTRFDDEPTDEKLVSMLDYIVYSAEEVHYIGCGDL
RTLMQFKKRSPGRFRRVLWHVYDPIAPECSDPNVIVHNIMVDSKKDILKH
MNFLKRVERLFIWDVSSDEWETTRFAEDRLGEEIAYEMGGAFSSALIKHR
IPNSKDEYHCISTYLFPQPGADADMYELRNFMRLRGYSHVDRHMHPDASV
TKVVSRDVRKMVELYHGRDRGRFLKKRLFEHLHIVRKNGLLHESDEPRAD
LFYLTNRCNMGLEPSIYEVMKKSVIATAWVGRAPLYDYDDFALPRSTVML
NGSYRDIRILDGNGAILFLMWRYPDIVKKDLTYDPAWAMNFAVSLKEPIP
DPPVPDISLCRFIGLRVESSVLRVRNPTDLSGHLYVTLMSGAYVTDLFWW
FKMILDWSAQNREQKLRDLKRSAAEVIEWVRNDLIAALREYKRKMGMREG
ASIDSWLELLRHL
Ligand information
Ligand IDM7G
InChIInChI=1S/C11H17N5O11P2/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(26-10)2-25-29(23,24)27-28(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H5-,12,13,14,19,20,21,22,23,24)/p+1/t4-,6-,7-,10-/m1/s1
InChIKeySBASPRRECYVBRF-KQYNXXCUSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C[n+]1cn(c2c1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC1OC(n2c[n+](C)c3c2N=C(N)NC3=O)C(O)C1O
OpenEye OEToolkits 2.0.7C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O
CACTVS 3.385C[n+]1cn([CH]2O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O)c3N=C(N)NC(=O)c13
CACTVS 3.385C[n+]1cn([C@@H]2O[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]2O)c3N=C(N)NC(=O)c13
FormulaC11 H18 N5 O11 P2
Name7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE
ChEMBL
DrugBankDB01960
ZINCZINC000013548083
PDB chain2jh8 Chain A Residue 1645 [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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PDB2jh8 Bluetongue Virus Vp4 is an RNA-Capping Assembly Line.
Resolution3.22 Å
Binding residue
(original residue number in PDB)		R282 I309 P310 N311 D332 Y334 R367
Binding residue
(residue number reindexed from 1)		R274 I301 P302 N303 D324 Y326 R359
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:2jh8, PDBe:2jh8, PDBj:2jh8
PDBsum2jh8
PubMed17417654
UniProtQ65751

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