Structure of PDB 7t1w Chain L4 Binding Site BS02
Receptor Information
>7t1w Chain L4 (length=212) Species:
9606
(Homo sapiens) [
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EIVMTQSPATLSVSPGERATLSCRASRSIRSALAWYQHKPGQAPRLLIFG
ASTRATGIPARFSGSGSGTDFTLTVSSIRSEDSAVYYCQQYDFWYTFGQG
TKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVD
NALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGL
SSPVTKSFNRGE
Ligand information
Ligand ID
BXY
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-MBMOQRBOSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
C([C@@H]1[C@H]([C@@H]([C@H](O1)O)O)O)O
CACTVS 3.341
OC[C@H]1O[C@H](O)[C@@H](O)[C@@H]1O
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
ACDLabs 10.04
OC1C(OC(O)C1O)CO
Formula
C5 H10 O5
Name
alpha-D-arabinofuranose;
alpha-D-arabinose;
D-arabinose;
arabinose
ChEMBL
DrugBank
DB01936
ZINC
ZINC000003581471
PDB chain
7t1w Chain D Residue 3 [
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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)
Y91 W94 Y95
Binding residue
(residue number reindexed from 1)
Y91 W94 Y95
Annotation score
4
External links
PDB
RCSB:7t1w
,
PDBe:7t1w
,
PDBj:7t1w
PDBsum
7t1w
PubMed
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