Structure of PDB 3q7g Chain B Binding Site BS01

Receptor Information

>3q7g Chain B (length=195) Species: 9606 (Homo sapiens)

DGVDIYFGMPGEISEHEGFLRAKMDLEERRMRQINEVMREWAMADNQSKN
LPKADRQALNEHFQSILQTLEEQVSGERQRLVETHATRVIALINDQRRAA
LEGFLAALQADPPQAERVLLALRRYLRAEQKEQRHTLRHYQHVAAVDPEK
AQQMRFQVHTHLQVIEERVNQSLGLLDQNPHLAQELRPQIQELLH

Ligand information

• Ligand ID: YYJ
• InChI: InChI=1S/C6H12O18S4/c7-6(2-21-26(11,12)13)5(24-28(17,18)19)4(23-27(14,15)16)3(22-6)1-20-25(8,9)10/h3-5,7H,1-2H2,(H,8,9,10)(H,11,12,13)(H,14,15,16)(H,17,18,19)/t3-,4-,5+,6-/m1/s1
• InChIKey: UCVVRDOLNRDLDM-ARQDHWQXSA-N
• SMILES:
  CACTVS 3.370: O[C]1(CO[S](O)(=O)=O)O[CH](CO[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH]1O[S](O)(=O)=O
  OpenEye OEToolkits 1.7.6: C(C1C(C(C(O1)(COS(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O
  ACDLabs 12.01: O=S(=O)(O)OCC1OC(O)(COS(=O)(=O)O)C(OS(=O)(=O)O)C1OS(=O)(=O)O
  OpenEye OEToolkits 1.7.6: C([C@@H]1[C@H]([C@@H]([C@](O1)(COS(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O
  CACTVS 3.370: O[C@]1(CO[S](O)(=O)=O)O[C@H](CO[S](O)(=O)=O)[C@@H](O[S](O)(=O)=O)[C@@H]1O[S](O)(=O)=O
• Formula: C6 H12 O18 S4
• Name: 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose
• PDB chain: 3q7g Chain D Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3q7g Crystal Structure of the E2 Domain of Amyloid Precursor Protein-like Protein 1 in Complex with Sucrose Octasulfate.
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): H433 V437
• Binding residue (residue number reindexed from 1): H142 V146
• Annotation score: 1

Gene Ontology

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:3q7g, PDBe:3q7g, PDBj:3q7g
• PDBsum: 3q7g
• PubMed: 21715329
• UniProt: P51693|APLP1_HUMAN Amyloid beta precursor like protein 1 (Gene Name=APLP1)