Structure of PDB 4x1x Chain A Binding Site BS01
Receptor Information
>4x1x Chain A (length=332) Species:
11976
(Rabbit hemorrhagic disease virus) [
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SPADLLTTPVLTGVGTDNRWNGEIVGLQPVPGGFSTCNRHWNLNGSTFGW
SSPRFAAIDHDRGNASYPGSSSSNVLELWYASAGSAADNPISQIAPDGFP
DMSFVPFSGTTVPTAGWVGFGGIWNSSNGAPFVTTVQAYELGFATGAPSN
PQPTTTTSGAQIVAKSIYGVATGINQATAGLFVMASGVISTPNSSAITYT
PQPNRIVNAPGTPAAAPIGKNTPIMFASVVRRTGDINAEAGSTNGTQYGA
GSQPLPVTVGLSLNNYSSALMPGQFFVWQLNFASGFMELGLSVDGYFYAG
TGASATLIDLSELVDIRPVGPRPSTSTLVYNL
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
4x1x Chain C Residue 3 [
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Receptor-Ligand Complex Structure
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PDB
4x1x
Structural analysis of a rabbit hemorrhagic disease virus binding to histo-blood group antigens.
Resolution
1.6 Å
Binding residue
(original residue number in PDB)
D472 N474 A475 S479
Binding residue
(residue number reindexed from 1)
D235 N237 A238 S242
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
External links
PDB
RCSB:4x1x
,
PDBe:4x1x
,
PDBj:4x1x
PDBsum
4x1x
PubMed
25505081
UniProt
I7FLU3
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