Structure of PDB 8dzd Chain A Binding Site BS01

Receptor Information
>8dzd Chain A (length=122) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DATDDYPIPNRIMRTPCTAEQIMAAARDVEPVYYERYMTDYKNKPPHVQQ
AARDRIHWFFSMDYAGRRQYSENTATDAFFEQLAWMWPNWAKLFFNNKGV
AANTTDVCEQYPPDDMSVWNWD
Ligand information
Ligand IDGLC
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-DVKNGEFBSA-N
SMILES
SoftwareSMILES
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
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain8dzd Chain C Residue 1 [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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PDB8dzd Structure of MS3494 from Mycobacterium smegmatis bound to sucrose
Resolution1.901 Å
Binding residue
(original residue number in PDB)		P120 N121 W122 A123 K124 F127
Binding residue
(residue number reindexed from 1)		P88 N89 W90 A91 K92 F95
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links