Structure of PDB 7ora Chain F Binding Site BS01
Receptor Information
>7ora Chain F (length=224) Species:
9606
(Homo sapiens) [
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QVQLVQSGPEVKKPGTSVKVSCKASGFTFTTSAVQWVRQARGQRLEWIGW
IVVGSGNTNYAQKFQERVTITRDMSTTTAYMELSSLRSEDTAVYFCAAPH
CNSTSCYDAFDIWGQGTMVTVSSASTKGPSVFPLAPSSKSTGTAALGCLV
KDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQ
TYICNVNHKPSNTKVDKKVEPKSC
Ligand information
Ligand ID
FUC
InChI
InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1
InChIKey
SHZGCJCMOBCMKK-SXUWKVJYSA-N
SMILES
Software
SMILES
CACTVS 3.341
C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O
ACDLabs 10.04
OC1C(O)C(OC(O)C1O)C
OpenEye OEToolkits 1.5.0
CC1C(C(C(C(O1)O)O)O)O
OpenEye OEToolkits 1.5.0
C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O
CACTVS 3.341
C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
Formula
C6 H12 O5
Name
alpha-L-fucopyranose;
alpha-L-fucose;
6-deoxy-alpha-L-galactopyranose;
L-fucose;
fucose
ChEMBL
CHEMBL1232862
DrugBank
DB04473
ZINC
ZINC000001532814
PDB chain
7ora Chain J Residue 3 [
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Receptor-Ligand Complex Structure
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PDB
7ora
Reduced neutralization of SARS-CoV-2 B.1.617 by vaccine and convalescent serum.
Resolution
2.6 Å
Binding residue
(original residue number in PDB)
H100 C106 Y107
Binding residue
(residue number reindexed from 1)
H100 C106 Y107
Annotation score
4
External links
PDB
RCSB:7ora
,
PDBe:7ora
,
PDBj:7ora
PDBsum
7ora
PubMed
34242578
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