Structure of PDB 1sz0 Chain A Binding Site BS01

Receptor Information
>1sz0 Chain A (length=417) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AEFPELCSYTWEAVDTKNNMLYKINICGNMGVAQCGPSSAVCMHDLKTDS
FHSVGDSLLKTASRSLLEFNTTVNCKIQSSITFLCGKTLGTPEFVTATDC
VHYFEWRTTAACKKNIFKANKEVPCYAFDRELKKHDLNPLIKTSGAYLVD
DSDPDTSLFINVCRDIEVLRASSPQVRVCPTGAAACLVRGDRAFDVGRPQ
EGLKLVSNDRLVLSYVKEGAGQPDFCDGHSPAVTITFVCPSERREGTIPK
LTAKSNCRFEIEWVTEYACHRDYLESRSCSLSSAQHDVAVDLQPLSSDSL
FYTSEADEYTYYLSICGGSQAPICNKKDAAVCQVKKADSTQVKVAGRPQN
LTLRYSDGDLTLIYFGGEECSSGFQRMSVINFECNQTAGNNGRGAPVFTG
EVDCTYFFTWDTKYACV
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 chain1sz0 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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PDB1sz0 The N-terminal carbohydrate recognition site of the cation-independent mannose 6-phosphate receptor
Resolution2.1 Å
Binding residue
(original residue number in PDB)		Y324 Q348 C385 S386 R391 E416 C419 Y421
Binding residue
(residue number reindexed from 1)		Y309 Q333 C370 S371 R376 E401 C404 Y406
Annotation score4
Binding affinityMOAD: Kd~1nM
PDBbind-CN: -logKd/Ki=9.00,Kd~1nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005537 D-mannose binding
GO:0038023 signaling receptor activity
Biological Process
GO:0007041 lysosomal transport

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1sz0, PDBe:1sz0, PDBj:1sz0
PDBsum1sz0
PubMed15169779
UniProtP08169|MPRI_BOVIN Cation-independent mannose-6-phosphate receptor (Gene Name=IGF2R)

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