Structure of PDB 7t1w Chain H5 Binding Site BS01
Receptor Information
>7t1w Chain H5 (length=217) Species:
9606
(Homo sapiens) [
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QVQLLESGGGVVRPGGSLRLSCAASGFNFEDFGMSWVRQAPGKGLEWVSS
ISWNGANIGYVDSVKGRFTISRDNAKNSLYLQMNSLRAEDTALYYCAIDW
YRDDYYKMDVWGKGTTVTVSSASTKGPSVFPLAPSSGTAALGCLVKDYFP
EPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICN
VNHKPSNTKVDKRVEPK
Ligand information
Ligand ID
BXX
InChI
InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4+,5-/m1/s1
InChIKey
HMFHBZSHGGEWLO-SQOUGZDYSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
C(C1C(C(C(O1)O)O)O)O
CACTVS 3.341
OC[CH]1O[CH](O)[CH](O)[CH]1O
CACTVS 3.341
OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0
C([C@@H]1[C@H]([C@@H]([C@@H](O1)O)O)O)O
ACDLabs 10.04
OC1C(OC(O)C1O)CO
Formula
C5 H10 O5
Name
beta-D-arabinofuranose;
beta-D-arabinose;
D-arabinose;
arabinose
ChEMBL
DrugBank
ZINC
ZINC000001530353
PDB chain
7t1w Chain E Residue 4 [
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Receptor-Ligand Complex Structure
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PDB
7t1w
Crystal structure of human Fab A194-01 in complex with its synthetic tetrasaccharide Ara4 epitope (BSI110886)
Resolution
2.45 Å
Binding residue
(original residue number in PDB)
S50 S52 D99 W100 D103
Binding residue
(residue number reindexed from 1)
S50 S52 D99 W100 D103
Annotation score
4
External links
PDB
RCSB:7t1w
,
PDBe:7t1w
,
PDBj:7t1w
PDBsum
7t1w
PubMed
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