Structure of PDB 1m6p Chain A Binding Site BS02

Receptor Information
>1m6p Chain A (length=146) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EKTCDLVGEKGKESEKELALLKRLTPLFQKSFESTMYSYVFRVCREAGQH
SSGAGLVQIQKSNGKETVVGRFNETQIFQGSNWIMLIYKGGDEYDNHCGR
EQRRAVVMISCNRHTLADNFNPVSEERGKVQDCFYLFEMDSSLACS
Ligand information
Ligand IDM6P
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-PQMKYFCFSA-N
SMILES
SoftwareSMILES
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([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)OP(=O)(O)O
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-alpha-D-mannopyranose;
ALPHA-D-MANNOSE-6-PHOSPHATE;
6-O-phosphono-alpha-D-mannose;
6-O-phosphono-D-mannose;
6-O-phosphono-mannose
ChEMBLCHEMBL402001
DrugBankDB02900
ZINCZINC000004096188
PDB chain1m6p Chain A Residue 200 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1m6p Molecular basis of lysosomal enzyme recognition: three-dimensional structure of the cation-dependent mannose 6-phosphate receptor.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		Y45 Q66 D103 N104 H105 R111 E133 R135 Y143
Binding residue
(residue number reindexed from 1)		Y37 Q58 D95 N96 H97 R103 E125 R127 Y135
Annotation score4
Binding affinityMOAD: Kd=8uM
PDBbind-CN: -logKd/Ki=5.10,Kd=8uM
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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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1m6p, PDBe:1m6p, PDBj:1m6p
PDBsum1m6p
PubMed9604938
UniProtP11456|MPRD_BOVIN Cation-dependent mannose-6-phosphate receptor (Gene Name=M6PR)

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