Structure of PDB 3j6q Chain E Binding Site BS01

Receptor Information
>3j6q Chain E (length=1058) Species: 110829 (Bombyx mori cypovirus 1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MWHYTSINNDTRVALDPKPNQIRTITKPNTVPQLGTDYLYTFNSQRRSHT
LRLLGPFQYFNFSETDRGHPLFRLPLKYPSKAIPADELIDNLHSWMRSVH
LLHVRSEDNTLRYNWMLGVYARSTNYTTPVGQLVVNAPAILNYSNPQDAF
NSVFVALGIDYIDIPITNSNIFDDSSTPYNVRIWHAPTMTEVNHILALMR
KSTLVSTHSSWHWNVLHTFHYRSESDMIDHFAAKILEDWRQKEKLDKGAL
VEADRVIQRLIPLSSSTYVQRLAAIGALYPNEFTENVLDLSRLSTALLQL
SDTYYQHANDQLRRLYRRMYNDSRTLYMTQRHQELLLAQITADPNILLYP
YTYIFTTIPTSMNYISNTGQGRIKHSLTVTGATEHDTVADIVLGQTGEDV
ITISMVEPMSIAVEDMYGYVLDTPTRDIWPADEQIEQKGDAVALYDTKTS
RALGMFNNTVRIDDLLSPLLSLVYRTYIKGDTMTMTQGSLDHLTLCAAVD
SDITFVGNRMIAPLPEGYIPKPMHRNNSTMKMLSLYVALKKLENFATNSY
LMAPDTSIILLGAEREPAVNILRRFNRNVSNVRIIGMGDRAVEPNIRVRV
PFPIDKNISADFIICDINSYEDQSFESMFSETISVVTTCASAATRALVKI
NHPSEYMINSVIERLSQLGGVFYHTALLKTASQNPYSYETYIYITPIAAA
VRFPFYSNSAMINRYMTAVADDEMPIIPSIHTVIKGHSNTYSPGLFCGCV
DVQSAPLALSQLKSYCSEATTWRVDSDDNLVNIIARIDPARIALEFRTRS
NTSAYHEYQRYVPNGLGFKVRKTREFRYMHREVTFIHKLMMYALIREQIS
LTENMTQVVSIGGRNLADISVVPLNMKYVVIDPATRIETLTQEKKNIEVQ
SRPFQFDAANMDLENNSIYLFIAVIMNEPNGAATPARMQMDKIRNVATAM
LTRTNCVAYISFYEAGIITRLDQSTAHKTIRVEEGRLKVANYVPVDTLVE
ADVTLMLRDIGITHEIIRPSTPELIDACSNYGIRLGSTGGAVLDVFNHYS
PVIKLVRS
Ligand information
Ligand IDSAH
InChIInChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
InChIKeyZJUKTBDSGOFHSH-WFMPWKQPSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N
CACTVS 3.341N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)C(O)=O
ACDLabs 10.04O=C(O)C(N)CCSCC3OC(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)CSCC[C@@H](C(=O)O)N)O)O)N
FormulaC14 H20 N6 O5 S
NameS-ADENOSYL-L-HOMOCYSTEINE
ChEMBLCHEMBL418052
DrugBankDB01752
ZINCZINC000004228232
PDB chain3j6q Chain E Residue 1101 [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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PDB3j6q Identification of the active sites in the methyltransferases of a transcribing dsRNA virus.
Resolution3.8 Å
Binding residue
(original residue number in PDB)		S528 A563 E566 D589 R590 V600 I617 N618 S619
Binding residue
(residue number reindexed from 1)		S528 A563 E566 D589 R590 V600 I617 N618 S619
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links