Structure of PDB 9esm Chain L Binding Site BS03
Receptor Information
>9esm Chain L (length=177) Species:
2242
(Halobacterium salinarum) [
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QVGIGTLIVFIAMVLVAAIAAGVLINTAGYLQSKGSATGEEASAQVSNRI
NIVSAYGNVAAAAVDYVNLTVRQAAGADNINLAKSTIQWIGPDAATTLTY
AAAAAENFTTASIKGAAAAVLVDQSDRIKVIMYAAAVAAALAAGAEVQLT
VTTQYGSKTTYWAQVPESLKDKNAVAL
Ligand information
Ligand ID
BDP
InChI
InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6+/m0/s1
InChIKey
AEMOLEFTQBMNLQ-QIUUJYRFSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.0
[C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O
OpenEye OEToolkits 1.7.0
C1(C(C(OC(C1O)O)C(=O)O)O)O
CACTVS 3.370
O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O
ACDLabs 12.01
O=C(O)C1OC(O)C(O)C(O)C1O
CACTVS 3.370
O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
Formula
C6 H10 O7
Name
beta-D-glucopyranuronic acid;
beta-D-glucuronic acid;
D-glucuronic acid;
glucuronic acid
ChEMBL
CHEMBL1159524
DrugBank
DB03156
ZINC
ZINC000004097543
PDB chain
9esm Chain y Residue 2 [
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Receptor-Ligand Complex Structure
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PDB
9esm
Perturbed N-glycosylation of Halobacterium salinarum archaellum filaments leads to filament bundling and compromised cell motility.
Resolution
3.06 Å
Binding residue
(original residue number in PDB)
X74 X159
Binding residue
(residue number reindexed from 1)
X62 X143
Annotation score
4
External links
PDB
RCSB:9esm
,
PDBe:9esm
,
PDBj:9esm
PDBsum
9esm
PubMed
38992036
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