Structure of PDB 2rlb Chain B Binding Site BS01

Receptor Information

>2rlb Chain B (length=152) Species: 9913 (Bos taurus)

EKTCDLVGEKGKESEKELALLKRLTPLFQKSFESTVGQSPDMYSYVFRVC
REAGQHSSGAGLVQIQKSNGKETVVGRFNETQIFQGSNWIMLIYKGGDEY
DNHCGREQRRAVVMISCNRHTLADNFNPVSEERGKVQDCFYLFEMDSSLA
CS

Ligand information

• Ligand ID: M6D
• InChI: InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6-/m1/s1
• InChIKey: NBSCHQHZLSJFNQ-RWOPYEJCSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O
  CACTVS 3.341: O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
  CACTVS 3.341: O[C@@H]1O[C@H](CO[P](O)(O)=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)OP(=O)(O)O
  ACDLabs 10.04: O=P(O)(O)OCC1OC(O)C(O)C(O)C1O
• Formula: C6 H13 O9 P
• Name: 6-O-phosphono-beta-D-mannopyranose;
  beta-D-mannose-6-phosphate;
  6-O-phosphono-beta-D-mannose;
  6-O-phosphono-D-mannose;
  6-O-phosphono-mannose
• ZINC: ZINC000003869397
• PDB chain: 2rlb Chain B Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2rlb Structural Insights into the Mechanism of pH-dependent Ligand Binding and Release by the Cation-dependent Mannose 6-Phosphate Receptor.
• Resolution: 1.75 Å
• Binding residue (original residue number in PDB): Y45 Q66 Y102 D103 N104 H105 R111 E133 R135 Y143
• Binding residue (residue number reindexed from 1): Y43 Q64 Y100 D101 N102 H103 R109 E131 R133 Y141
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0019904 protein domain specific binding

Biological Process

• GO:0006622 protein targeting to lysosome

Cellular Component

• GO:0005768 endosome
• GO:0005794 Golgi apparatus

External links

• PDB: RCSB:2rlb, PDBe:2rlb, PDBj:2rlb
• PDBsum: 2rlb
• PubMed: 18272523
• UniProt: P11456|MPRD_BOVIN Cation-dependent mannose-6-phosphate receptor (Gene Name=M6PR)