Structure of PDB 7r85 Chain A Binding Site BS01
Receptor Information
>7r85 Chain A (length=44) Species:
10090
(Mus musculus) [
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AWDEWSPWSLCSSTCGRGFRDRTRTCRCEGPEKQTKFCNIALCP
Ligand information
Ligand ID
FUC
InChI
InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1
InChIKey
SHZGCJCMOBCMKK-SXUWKVJYSA-N
SMILES
Software
SMILES
CACTVS 3.341
C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O
ACDLabs 10.04
OC1C(O)C(OC(O)C1O)C
OpenEye OEToolkits 1.5.0
CC1C(C(C(C(O1)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
CACTVS 3.341
C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
Formula
C6 H12 O5
Name
alpha-L-fucopyranose;
alpha-L-fucose;
6-deoxy-alpha-L-galactopyranose;
L-fucose;
fucose
ChEMBL
CHEMBL1232862
DrugBank
DB04473
ZINC
ZINC000001532814
PDB chain
7r85 Chain B Residue 1 [
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Receptor-Ligand Complex Structure
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PDB
7r85
RTN4/NoGo-receptor binding to BAI adhesion-GPCRs regulates neuronal development.
Resolution
1.45 Å
Binding residue
(original residue number in PDB)
T16 C17
Binding residue
(residue number reindexed from 1)
T14 C15
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
External links
PDB
RCSB:7r85
,
PDBe:7r85
,
PDBj:7r85
PDBsum
7r85
PubMed
34758294
UniProt
Q3UHD1
|AGRB1_MOUSE Adhesion G protein-coupled receptor B1 (Gene Name=Adgrb1)
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