Structure of PDB 7wda Chain D Binding Site BS02

Receptor Information
>7wda Chain D (length=426) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QGLVVSFYTPATDGATFTAIAQRCNQQFGGRFTIAQVSLPRSPNEQRLQL
ARRLTGNDRTLDVMALDVVWTAEFAEAGWALPLSDDPAGLAENDAVADTL
PGPLATAGWNHKLYAAPVTTNTQLLWYRPDLVNSPPTDWNAMIAEAARLH
AAGEPSWIAVQANQGEGLVVWFNTLLVSAGGSVLSEDGRHVTLTDTPAHR
AATVSALQILKSVATTPGADGSARLAFEQGKAALEVNWPFVFASMLENAV
KGGVPFLPLNRIPQLAGSINDIGTFTPSDEQFRIAYDASQQVFGFAPYPA
VAPGQPAKVTIGGLNLAVAKTTRHRAEAFEAVRCLRDQHNQRYVSLEGGL
PAVRASLYSDPQFQAKYPMHAIIRQQLTDAAVRPATPVYQALSIRLAAVL
SPITEIDPESTADELAAQAQKAIDGM
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 chain7wda Chain I Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7wda Structural analysis of LpqY, a substrate-binding protein from the SugABC transporter of Mycobacterium tuberculosis, provides insights into its trehalose specificity.
Resolution1.91 Å
Binding residue
(original residue number in PDB)		N151 W276
Binding residue
(residue number reindexed from 1)		N121 W238
Annotation score2
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015574 trehalose transmembrane transporter activity
GO:1901982 maltose binding
Biological Process
GO:0015771 trehalose transport
GO:0051701 biological process involved in interaction with host
Cellular Component
GO:0005886 plasma membrane
GO:0042597 periplasmic space
GO:0043190 ATP-binding cassette (ABC) transporter complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7wda, PDBe:7wda, PDBj:7wda
PDBsum7wda
PubMed35775983
UniProtP9WGU9|LPQY_MYCTU Trehalose-binding lipoprotein LpqY (Gene Name=lpqY)

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