Structure of PDB 6ws6 Chain C Binding Site BS01

Receptor Information
>6ws6 Chain C (length=212) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QVQLVQSGAEVKKPGASVKVSCKASGYPFTSYGISWVRQAPGQGLEWMGW
ISTYNGNTNYAQKFQGRVTMTTDTSTTTGYMELRRLRSDDTAVYYCARDY
TRGAWFGESLIGGFDNWGQGTLVTVSSASTKGPSVFPLAPLGCLVKDYFP
EPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTPSSSLGTQTYICNV
NHKPSNTKVDKK
Ligand information
Ligand IDJEF
InChIInChI=1S/C30H63NO10/c1-22(31)13-33-14-23(2)35-16-25(4)37-18-27(6)39-20-29(8)41-21-30(9)40-19-28(7)38-17-26(5)36-15-24(3)34-12-11-32-10/h22-30H,11-21,31H2,1-10H3/t22?,23-,24?,25-,26?,27+,28-,29+,30?/m1/s1
InChIKeyICCXIDTYQFYPNV-RUMGZKRTSA-N
SMILES
SoftwareSMILES
CACTVS 3.341COCCOC(C)COC(C)CO[CH](C)CO[CH](C)CO[CH](C)CO[CH](C)CO[CH](C)CO[CH](C)COCC(C)N
ACDLabs 10.04O(C(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COCC(N)C)CC(OCCOC)C
OpenEye OEToolkits 1.5.0C[C@@H](COC[C@@H](C)OC[C@@H](C)OC[C@H](C)OC[C@H](C)OCC(C)OC[C@@H](C)OC[C@@H](C)OC[C@H](C)OCCOC)N
CACTVS 3.341COCCOC(C)COC(C)CO[C@H](C)CO[C@H](C)CO[C@@H](C)CO[C@@H](C)CO[C@H](C)CO[C@H](C)COCC(C)N
OpenEye OEToolkits 1.5.0CC(COCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCCOC)N
FormulaC30 H63 N O10
NameO-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500);
JEFFAMINE
ChEMBL
DrugBank
ZINC
PDB chain6ws6 Chain A Residue 401 [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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PDB6ws6 Cross-neutralization of SARS-CoV-2 by a human monoclonal SARS-CoV antibody.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		Y54 W105
Binding residue
(residue number reindexed from 1)		Y54 W105
Annotation score1
External links