Structure of PDB 7whp Chain A Binding Site BS01

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 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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PDB7whp Multiple conformations of trimeric spikes visualized on a non-enveloped virus.
Resolution3.7 Å
Binding residue
(original residue number in PDB)		S528 L561 G562 A563 E564 D589 R590 V600 I617 N618 Y620
Binding residue
(residue number reindexed from 1)		S528 L561 G562 A563 E564 D589 R590 V600 I617 N618 Y620
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links