Structure of PDB 9esm Chain V Binding Site BS01
Receptor Information
>9esm Chain V (length=178) Species:
2242
(Halobacterium salinarum) [
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QVGIGTLIVFIAMVLVAAIAAGVLINTAGYLQSKGSATGEEASAQVSNRI
NIVSAYGNVAAAAVDYVNLTVRQAAGADNINLAKSTIQWIGPDAATTLTY
AAAAAAENFTTASIKGAAAAVLVDQSDRIKVIMYAAAVAAALAAGAEVQL
TVTTQYGSKTTYWAQVPESLKDKNAVAL
Ligand information
Ligand ID
BGC
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-VFUOTHLCSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.6
C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370
OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370
OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01
OC1C(O)C(OC(O)C1O)CO
Formula
C6 H12 O6
Name
beta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBL
CHEMBL1614854
DrugBank
DB02379
ZINC
ZINC000003833800
PDB chain
9esm Chain FA Residue 1 [
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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)
N70 N80 K145 I147
Binding residue
(residue number reindexed from 1)
N58 N68 K130 I132
Annotation score
4
External links
PDB
RCSB:9esm
,
PDBe:9esm
,
PDBj:9esm
PDBsum
9esm
PubMed
38992036
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