Structure of PDB 8tdh Chain D Binding Site BS01
Receptor Information
>8tdh Chain D (length=451) Species:
239759
(Alistipes) [
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DKLNILGVGIGGRGSSVLRGLESQNIIGLCDVDWKYADHVFKRYPAAKKY
NDYRKMFDEMLKSADAVMVATADHTHAIIAADAMTAGKHVYVEKPLTHTV
YESRLLTKLADKYKVATQMGNQGASDEGVRKVCEWIWNGEIGEVRKVETF
TDRPIWPQGLSRPEDDQRIPKTLNWDAFIGPAPYRPYNAIYTPWNFRGWW
DFGTGALGDMACHILHPVFKGLKLGYPTKVQGSSTLLLNESAPMAQTVKF
VFPARDNMPKVAMPEVEVYWYDGGLKPARPEGLPAGKDLNMAGGGVIFYG
TKDTLICGCYGVNPYLVSGRVPNAPKVLREIKESHQMDWVRACKEDADDR
VPSASDFSEAGPFNEMVVMGVLAVRLQNLNRELLWDGPNMRFTNIPDDAT
ISAVIKDGFHIKDGHPTFDKTWTDPVNAQQFAQELIKHTYRDGWKLPDMP
R
Ligand information
Ligand ID
GLC
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-DVKNGEFBSA-N
SMILES
Software
SMILES
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
CACTVS 3.341
OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04
OC1C(O)C(OC(O)C1O)CO
Formula
C6 H12 O6
Name
alpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBL
CHEMBL423707
DrugBank
ZINC
ZINC000003861213
PDB chain
8tdh Chain H Residue 2 [
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Receptor-Ligand Complex Structure
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PDB
8tdh
An alternative broad-specificity pathway for glycan breakdown in bacteria.
Resolution
2.95 Å
Binding residue
(original residue number in PDB)
Q469 F470 E473
Binding residue
(residue number reindexed from 1)
Q430 F431 E434
Annotation score
4
External links
PDB
RCSB:8tdh
,
PDBe:8tdh
,
PDBj:8tdh
PDBsum
8tdh
PubMed
38898276
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