Structure of PDB 9bry Chain c Binding Site BS01
Receptor Information
>9bry Chain c (length=203) Species:
10090
(Mus musculus) [
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HPPVSYNDTAPRILFWAQNFSVAYKDEWKDLTSLTFGVENLNLTGSFWND
SFAMLSLTYEPLFGATVTFKFILASRFYPVSARYWFAMERLEIHSNGSVA
HFNVSQVTGPSIYSFHCEYVSSVSKKGNLLVTNVPSVWQMTLHNFQIQAF
NVTGEQFSYASDCAGFFSPGIWMGLLTTLFMLFIFTYGLHMILSLKTMDR
FDD
Ligand information
Ligand ID
BMA
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-RWOPYEJCSA-N
SMILES
Software
SMILES
CACTVS 3.341
OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0
C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341
OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0
C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O
ACDLabs 10.04
OC1C(O)C(OC(O)C1O)CO
Formula
C6 H12 O6
Name
beta-D-mannopyranose;
beta-D-mannose;
D-mannose;
mannose
ChEMBL
DrugBank
ZINC
ZINC000003830679
PDB chain
9bry Chain c Residue 502 [
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Receptor-Ligand Complex Structure
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PDB
9bry
Structure and topography of the synaptic V-ATPase-synaptophysin complex.
Resolution
3.6 Å
Binding residue
(original residue number in PDB)
A313 T314 S343
Binding residue
(residue number reindexed from 1)
A65 T66 S95
Annotation score
4
External links
PDB
RCSB:9bry
,
PDBe:9bry
,
PDBj:9bry
PDBsum
9bry
PubMed
38838737
UniProt
Q9R1Q9
|VAS1_MOUSE V-type proton ATPase subunit S1 (Gene Name=Atp6ap1)
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