Structure of PDB 2rl8 Chain A Binding Site BS01

Receptor Information
>2rl8 Chain A (length=148) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KTCDLVGEKGKESEKELALLKRLTPLFQKSFESTVGDMYSYVFRVCREAG
QHSSGAGLVQIQKSNGKETVVGRFNETQIFQGSNWIMLIYKGGDEYDNHC
GREQRRAVVMISCNRHTLADNFNPVSEERGKVQDCFYLFEMDSSLACS
Ligand information
Ligand IDM6D
InChIInChI=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
InChIKeyNBSCHQHZLSJFNQ-RWOPYEJCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O
CACTVS 3.341O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341O[C@@H]1O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O
ACDLabs 10.04O=P(O)(O)OCC1OC(O)C(O)C(O)C1O
FormulaC6 H13 O9 P
Name6-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
ChEMBL
DrugBank
ZINCZINC000003869397
PDB chain2rl8 Chain A Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2rl8 Structural Insights into the Mechanism of pH-dependent Ligand Binding and Release by the Cation-dependent Mannose 6-Phosphate Receptor.
Resolution1.45 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)		Y39 Q60 Y96 D97 N98 H99 R105 E127 R129 Y137
Annotation score4
Enzymatic activity
Enzyme Commision number ?
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

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Biological Process
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Cellular Component
External links
PDB RCSB:2rl8, PDBe:2rl8, PDBj:2rl8
PDBsum2rl8
PubMed18272523
UniProtP11456|MPRD_BOVIN Cation-dependent mannose-6-phosphate receptor (Gene Name=M6PR)

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