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BioLiP

Structure of PDB 5mwe Chain B Binding Site BS04

Receptor Information
>5mwe Chain B (length=61) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHDCAKVDLENAELRRKLIRTKRAFEDTYEKLRMANKAKAQVEKDIKNQI
LKTHNVLRNVR
Ligand information
Ligand IDTCE
InChIInChI=1S/C9H15O6P/c10-7(11)1-4-16(5-2-8(12)13)6-3-9(14)15/h1-6H2,(H,10,11)(H,12,13)(H,14,15)
InChIKeyPZBFGYYEXUXCOF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC(=O)CCP(CCC(O)=O)CCC(O)=O
OpenEye OEToolkits 1.5.0C(CP(CCC(=O)O)CCC(=O)O)C(=O)O
ACDLabs 10.04O=C(O)CCP(CCC(=O)O)CCC(=O)O
FormulaC9 H15 O6 P
Name3,3',3''-phosphanetriyltripropanoic acid;
3-[bis(2-carboxyethyl)phosphanyl]propanoic acid
ChEMBLCHEMBL171512
DrugBank
ZINCZINC000002517013
PDB chain5mwe Chain B Residue 1201 [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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PDB5mwe Structural Basis for Mitotic Centrosome Assembly in Flies.
Resolution2.02 Å
Binding residue
(original residue number in PDB)		A1115 K1119
Binding residue
(residue number reindexed from 1)		A35 K39
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5mwe, PDBe:5mwe, PDBj:5mwe
PDBsum5mwe
PubMed28575671
UniProtP54623|CNN_DROME Centrosomin (Gene Name=cnn)

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