Structure of PDB 5kpf Chain B Binding Site BS02

Receptor Information
>5kpf Chain B (length=108) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AEFKAGSAKKGATLFKTRCLQCHTVEKGGPHKVGPNLHGIFGRHSGQAEG
YSYTDANIKKNVLWDENNMSEYLTNPKKYIPGTKMAFGGLKKEKDRNDLI
TYLKKATE
Ligand information
Ligand ID6VJ
InChIInChI=1S/C34H28O13S3/c35-31-20-6-19(18-4-2-1-3-5-18)7-21(31)9-23-13-29(49(42,43)44)15-25(33(23)37)11-27-17-30(50(45,46)47)16-26(34(27)38)10-24-14-28(48(39,40)41)12-22(8-20)32(24)36/h1-7,12-17,35-38H,8-11H2,(H,39,40,41)(H,42,43,44)(H,45,46,47)
InChIKeyYFNBDSGSCMLGRM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Oc1c2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc1cc(c2)c6ccccc6)c5O)[S](O)(=O)=O)c4O)[S](O)(=O)=O)c3O)[S](O)(=O)=O
OpenEye OEToolkits 2.0.5c1ccc(cc1)c2cc3c(c(c2)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O
FormulaC34 H28 O13 S3
NamePhenyl-trisulfonatocalix[4]arene
ChEMBLCHEMBL2443019
DrugBank
ZINCZINC000096939414
PDB chain5kpf Chain B Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5kpf Protein Recognition by Functionalized Sulfonatocalix[4]arenes.
Resolution1.698 Å
Binding residue
(original residue number in PDB)		S2 A3 K4 K5
Binding residue
(residue number reindexed from 1)		S7 A8 K9 K10
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:5kpf, PDBe:5kpf, PDBj:5kpf
PDBsum5kpf
PubMed29125201
UniProtP00044|CYC1_YEAST Cytochrome c isoform 1 (Gene Name=CYC1)

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