Structure of PDB 7de7 Chain B Binding Site BS01

Receptor Information
>7de7 Chain B (length=93) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VNEQVQAWESRRPLIQDLARRLLTDDEVLAVTRHCSRYVHEGGVEDLVRP
LLAILDRPTKLLLLRDIRSVVAPTDLGRFDSMVMPVELEAFEA
Ligand information
Ligand ID2Q5
InChIInChI=1S/C12H26O5/c1-9(14)6-15-11(3)8-17-12(4)7-16-10(2)5-13/h9-14H,5-8H2,1-4H3/t9-,10-,11+,12-/m1/s1
InChIKeyQVHMSMOUDQXMRS-WISYIIOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[C@@H](O)CO[C@@H](C)CO[C@H](C)CO[C@H](C)CO
ACDLabs 12.01OC(COC(COC(COC(C)CO)C)C)C
OpenEye OEToolkits 1.7.6C[C@H](CO)OC[C@@H](C)OC[C@H](C)OC[C@@H](C)O
CACTVS 3.385C[CH](O)CO[CH](C)CO[CH](C)CO[CH](C)CO
OpenEye OEToolkits 1.7.6CC(CO)OCC(C)OCC(C)OCC(C)O
FormulaC12 H26 O5
Name(2R)-2-{[(2R)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propyl]oxy}propan-1-ol
ChEMBL
DrugBank
ZINCZINC000098208234
PDB chain7de7 Chain A Residue 701 [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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PDB7de7 Structure and Membrane Targeting of the PDZD7 Harmonin Homology Domain (HHD) Associated With Hearing Loss.
Resolution1.49 Å
Binding residue
(original residue number in PDB)		L610 R611 E633
Binding residue
(residue number reindexed from 1)		L64 R65 E87
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7de7, PDBe:7de7, PDBj:7de7
PDBsum7de7
PubMed33937240
UniProtE9Q9W7|PDZD7_MOUSE PDZ domain-containing protein 7 (Gene Name=Pdzd7)

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