Structure of PDB 5ncv Chain A Binding Site BS03

Receptor Information
>5ncv Chain A (length=104) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AGSAKKGATLFKTRCLQCHTVEKGGPHKVGPNLHGIFGRHSGQAEGYSYT
DANIKKNVLWDENNMSEYLTNPKKYIPGTKMAFGGLKKEKDRNDLITYLK
KATE
Ligand information
Ligand ID8TE
InChIInChI=1S/C32H36O16P4/c33-29-21-1-17(13-49(37,38)39)2-22(29)10-24-5-19(15-51(43,44)45)6-27(31(24)35)12-28-8-20(16-52(46,47)48)7-26(32(28)36)11-25-4-18(14-50(40,41)42)3-23(9-21)30(25)34/h1-8,33-36H,9-16H2,(H2,37,38,39)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48)
InChIKeyHXGDFDVLRPRMJW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)C2)CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O)O)CP(=O)(O)O
CACTVS 3.385Oc1c2Cc3cc(C[P](O)(O)=O)cc(Cc4cc(C[P](O)(O)=O)cc(Cc5cc(C[P](O)(O)=O)cc(Cc1cc(C[P](O)(O)=O)c2)c5O)c4O)c3O
FormulaC32 H36 O16 P4
Namep-Methylphosphonatocalix[4]arene
ChEMBLCHEMBL592901
DrugBank
ZINCZINC000095537365
PDB chain5ncv Chain A Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ncv Phosphonated Calixarene as a ""Molecular Glue"" for Protein Crystallization
Resolution1.5 Å
Binding residue
(original residue number in PDB)		N70 K86
Binding residue
(residue number reindexed from 1)		N71 K87
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0009055 electron transfer activity
GO:0020037 heme binding
GO:0046872 metal ion binding
GO:1901612 cardiolipin binding
Biological Process
GO:0006122 mitochondrial electron transport, ubiquinol to cytochrome c
GO:0006123 mitochondrial electron transport, cytochrome c to oxygen
Cellular Component
GO:0005739 mitochondrion
GO:0005758 mitochondrial intermembrane space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5ncv, PDBe:5ncv, PDBj:5ncv
PDBsum5ncv
PubMed
UniProtP00044|CYC1_YEAST Cytochrome c isoform 1 (Gene Name=CYC1)

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