Structure of PDB 4q4f Chain A Binding Site BS01

Receptor Information
>4q4f Chain A (length=394) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IEKKIVLRNGTEAFDSWEKPPLPVYTQFYFFNVTNPEEILRGETPRVEEV
GPYTYRELRNKANIQFGDNGTTISAVSNKAYVFERDQSVGDPKIDLIRTL
NIPVLTVIEWSQVHFLREIIEAMLKAYQQKLFVTHTVDELLWGYKDEILS
LIHVFRPDISPYFGLFYEKNGTNDGDYVFLTGEDSYLNFTKIVEWNGKTS
LDWWITDKCNMINGTDGDSFHPLITKDEVLYVFPSDFCRSVYITFSDYES
VQGLPAFRYKVPAEILANTSDNAGFCIPEGNCLGSGVLNVSICKNGAPII
MSFPHFYQADERFVSAIEGMHPNQEDHETFVDINPLTGIILKAAKRFQIN
IYVKKLDDFVETGDIRTMVFPVMYLNESVHIDKETASRLKSMIN
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 chain4q4f Chain F Residue 6 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4q4f Lysosome sorting of beta-glucocerebrosidase by LIMP-2 is targeted by the mannose 6-phosphate receptor.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		L152 R153 E154
Binding residue
(residue number reindexed from 1)		L116 R117 E118
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005044 scavenger receptor activity
Cellular Component
GO:0005764 lysosome
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:4q4f, PDBe:4q4f, PDBj:4q4f
PDBsum4q4f
PubMed25027712
UniProtQ14108|SCRB2_HUMAN Lysosome membrane protein 2 (Gene Name=SCARB2)

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