Structure of PDB 4x8x Chain B Binding Site BS01

Receptor Information

>4x8x Chain B (length=393) Species: 7227 (Drosophila melanogaster)

GGADQKGPVFLKEPTNRIDFSNSTGAEIECKASGNPMPEIIWIRSDGTAV
GDVPGLRQISSDGKLVFPPFRAEDYRQEVHAQVYACLARNQFGSIISRDV
HVRAVVAQYYEADVNKEHVIRGNSAVIKCLIPSFVADFVEVVSWHTDEEE
NYFPGAEYDGKYLVLPSGELHIREVGPEDGYKSYQCRTKHRLTGETRLSA
TKGRLVITEPVGSVRPKVNPQDKHQFIDVELASSYSLLCMAQSYPTPSFR
WYKFIEGTTRKQAVVLNDRVKQVSGTLIIKDAVVEDSGKYLCVVNNSVGG
ESVETVLTVTAPLSAKIDPPTQTVDFGRPAVFTCQYTGNPIKTVSWMKDG
KAIGHSEPVLRIESVKKEDKGMYQCFVRNDQESAEASAELKLG

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: 4x8x Chain D Residue 4

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4x8x Structural basis of Dscam1 homodimerization: Insights into context constraint for protein recognition
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): R374 N375 D376
• Binding residue (residue number reindexed from 1): R378 N379 D380
• Annotation score: 4

External links

• PDB: RCSB:4x8x, PDBe:4x8x, PDBj:4x8x
• PDBsum: 4x8x
• PubMed: 27386517
• UniProt: Q0E9H9|DSCA1_DROME Cell adhesion molecule Dscam1 (Gene Name=Dscam1)