Structure of PDB 7r85 Chain A Binding Site BS03

Receptor Information

>7r85 Chain A (length=44) Species: 10090 (Mus musculus)

AWDEWSPWSLCSSTCGRGFRDRTRTCRCEGPEKQTKFCNIALCP

Ligand information

• Ligand ID: MAN
• 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-PQMKYFCFSA-N
• SMILES:
  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
  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([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: alpha-D-mannopyranose;
  alpha-D-mannose;
  D-mannose;
  mannose
• ChEMBL: CHEMBL365590
• ZINC: ZINC000003860903
• PDB chain: 7r85 Chain A Residue 202

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7r85 RTN4/NoGo-receptor binding to BAI adhesion-GPCRs regulates neuronal development.
• Resolution: 1.45 Å
• Binding residue (original residue number in PDB): P9 W10
• Binding residue (residue number reindexed from 1): P7 W8
• Annotation score: 4

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)