Structure of PDB 6ug9 Chain K Binding Site BS02
Receptor Information
>6ug9 Chain K (length=211) Species:
10090
(Mus musculus) [
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ENVLTQSPAIMSASPGEKVTMTCSASSSVNYMHWYQQKSSTSPKLWIYDT
SKLASGVPGRFSGSGSGNSYSLTIRTMEAEDVATYFCFQASGYPLTFGGG
TKLELKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVD
NALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGL
SSPVTKSFNRG
Ligand information
Ligand ID
GLA
InChI
InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6+/m1/s1
InChIKey
WQZGKKKJIJFFOK-PHYPRBDBSA-N
SMILES
Software
SMILES
CACTVS 3.341
OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0
C(C1C(C(C(C(O1)O)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)O
CACTVS 3.341
OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 10.04
OC1C(O)C(OC(O)C1O)CO
Formula
C6 H12 O6
Name
alpha-D-galactopyranose;
alpha-D-galactose;
D-galactose;
galactose;
ALPHA D-GALACTOSE
ChEMBL
CHEMBL1233058
DrugBank
ZINC
ZINC000000901155
PDB chain
6ug9 Chain E Residue 3 [
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Receptor-Ligand Complex Structure
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PDB
6ug9
The terminal sialic acid of stage-specific embryonic antigen-4 has a crucial role in binding to a cancer-targeting antibody.
Resolution
2.74 Å
Binding residue
(original residue number in PDB)
H33 A90
Binding residue
(residue number reindexed from 1)
H33 A90
Annotation score
4
External links
PDB
RCSB:6ug9
,
PDBe:6ug9
,
PDBj:6ug9
PDBsum
6ug9
PubMed
31831622
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