Structure of PDB 3jay Chain A Binding Site BS01

Receptor Information
>3jay Chain A (length=1057) 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
PVIKLVR
Ligand information
Ligand IDSAM
InChIInChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1
InChIKeyMEFKEPWMEQBLKI-FCKMPRQPSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[S@@+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
CACTVS 3.341C[S+](CC[CH](N)C([O-])=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
ACDLabs 10.04[O-]C(=O)C(N)CC[S+](C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
FormulaC15 H22 N6 O5 S
NameS-ADENOSYLMETHIONINE
ChEMBLCHEMBL1235831
DrugBank
ZINC
PDB chain3jay Chain A 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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PDB3jay A putative ATPase mediates RNA transcription and capping in a dsRNA virus.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		N526 S528 G562 E566 D589 R590 R599 V600 D616 I617
Binding residue
(residue number reindexed from 1)		N526 S528 G562 E566 D589 R590 R599 V600 D616 I617
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links