Structure of PDB 6rgi Chain A Binding Site BS02

Receptor Information
>6rgi Chain A (length=92) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EFKAGSAKKGATLFKTRCLQCHTVEKGGPHKVGPNLHGIFGRHSNVLWDE
NNMSEYLTNPKKYIPGTKMAFGGLKKEKDRNDLITYLKKATE
Ligand information
Ligand IDFWQ
InChIInChI=1S/C42H36O24S6/c43-37-19-1-20-8-32(68(52,53)54)10-22(38(20)44)3-24-12-34(70(58,59)60)14-26(40(24)46)5-28-16-36(72(64,65)66)18-30(42(28)48)6-29-17-35(71(61,62)63)15-27(41(29)47)4-25-13-33(69(55,56)57)11-23(39(25)45)2-21(37)9-31(7-19)67(49,50)51/h7-18,43-48H,1-6H2,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)/p-6
InChIKeyBXOUPTJVBGEDIR-UHFFFAOYSA-H
SMILES
SoftwareSMILES
CACTVS 3.385Oc1c2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc6cc(cc(Cc7cc(cc(Cc1cc(c2)[S]([O-])(=O)=O)c7O)[S]([O-])(=O)=O)c6O)[S]([O-])(=O)=O)c5O)[S]([O-])(=O)=O)c4O)[S]([O-])(=O)=O)c3O)[S]([O-])(=O)=O
OpenEye OEToolkits 2.0.6c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)C2)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])O)S(=O)(=O)[O-]
FormulaC42 H30 O24 S6
Namep-sulfonatocalix[6]arene
ChEMBL
DrugBank
ZINC
PDB chain6rgi Chain A Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6rgi Calixarene capture of partially unfolded cytochrome c.
Resolution2.64 Å
Binding residue
(original residue number in PDB)		K73 A81 G83 K86
Binding residue
(residue number reindexed from 1)		K62 A70 G72 K75
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
View graph for
Cellular Component
External links
PDB RCSB:6rgi, PDBe:6rgi, PDBj:6rgi
PDBsum6rgi
PubMed31254353
UniProtP00044|CYC1_YEAST Cytochrome c isoform 1 (Gene Name=CYC1)

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