Structure of PDB 7r55 Chain A Binding Site BS03

Receptor Information
>7r55 Chain A (length=324) Species: 946362 (Salpingoeca rosetta) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TFEPATDSPLPVPGVQYFLQHVQSGKYVHPHGGSDMPGNDTALVLHHGFD
EKRDALRWVFVNDAENKHQLKHYSSGKFVHPKGGKVGKEATLVVHSSPGR
PETMIEMVQEDGRTYLRHTDSDYYVHPHGGSPNPGDNTRLVYYSGYRPSL
AFLAIPAETLFVDRIEIHQAQALESINTITSLSDEHRNDTDQPVQTSISV
ALEESLQDSAQLSFERCFGLKVGSEFEVGLPLVGKTKVSVQFSGSWKSST
IKGEVRTSAVKVQINEHVTIPPGKCVQIRIDTRRCTKTAPATMYLRTASG
IEVQRETTVTSTYHYDQEVHVVPV
Ligand information
Ligand IDGLA
InChIInChI=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
InChIKeyWQZGKKKJIJFFOK-PHYPRBDBSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-galactopyranose;
alpha-D-galactose;
D-galactose;
galactose;
ALPHA D-GALACTOSE
ChEMBLCHEMBL1233058
DrugBank
ZINCZINC000000901155
PDB chain7r55 Chain C Residue 3 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7r55 The choanoflagellate pore-forming lectin SaroL-1 punches holes in cancer cells by targeting the tumor-related glycosphingolipid Gb3.
Resolution1.84 Å
Binding residue
(original residue number in PDB)		E92 H129 H131 G132 G133 Y146 R150
Binding residue
(residue number reindexed from 1)		E89 H126 H128 G129 G130 Y143 R147
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links