Structure of PDB 7whp Chain A Binding Site BS02

Receptor Information
>7whp 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 chain7whp Chain A Residue 1102 [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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PDB7whp Multiple conformations of trimeric spikes visualized on a non-enveloped virus.
Resolution3.7 Å
Binding residue
(original residue number in PDB)		K838 Y842 I861 G862 R864 D882 P883 I922 A923 V924 P929
Binding residue
(residue number reindexed from 1)		K838 Y842 I861 G862 R864 D882 P883 I922 A923 V924 P929
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links