Structure of PDB 6suv Chain EaE Binding Site BS02

Receptor Information
>6suv Chain EaE (length=104) Species: 9796 (Equus caballus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GDVEKGKKIFVQKCAQCHTVEKGGKHKTGPNLHGLFGRKTGQAPGFTYTD
ANKNKGITWKEETLMEYLENPKKYIPGTKMIFAGIKKKTEREDLIAYLKK
ATNE
Ligand information
Ligand IDLVQ
InChIInChI=1S/C38H38AsO25S4.Na/c1-39(2,47)64-34(46)18-63-38-25-5-23-11-28(66(51,52)53)9-21(36(23)61-16-32(42)43)3-19-7-27(65(48,49)50)8-20(35(19)60-15-31(40)41)4-22-10-29(67(54,55)56)12-24(37(22)62-17-33(44)45)6-26(38)14-30(13-25)68(57,58)59;/h7-14,47H,3-6,15-18H2,1-2H3,(H,40,41)(H,42,43)(H,44,45)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59);/q-1;+6/p-1
InChIKeyDWJVHZAMZXSDQE-UHFFFAOYSA-M
SMILES
SoftwareSMILES
CACTVS 3.385C[As-](C)(O)OC1=[O+][Na]2345OC(=O)C[O+]2c6c7Cc8cc(cc(Cc9cc(cc(Cc%10cc(cc(Cc6cc(c7)[S](O)(=O)=O)c%10[O+]3CC(O)=O)[S](O)(=O)=O)c9[O+]4C1)[S](O)(=O)=O)c8[O+]5CC(O)=O)[S](O)(=O)=O
OpenEye OEToolkits 2.0.7C[As-](C)(O)OC1=[O+][Na]2345OC(=O)C[O+]2c6c7cc(cc6Cc8cc(cc(c8[O+]3CC(=O)O)Cc9cc(cc(c9[O+]4C1)Cc1cc(cc(c1[O+]5CC(=O)O)C7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O
FormulaC38 H37 As Na O25 S4
Nameocta-anionic calixarene
ChEMBL
DrugBank
ZINC
PDB chain6suv Chain EaE Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6suv Probing the determinants of porosity in protein frameworks: co-crystals of cytochrome c and an octa-anionic calix[4]arene
Resolution2.502 Å
Binding residue
(original residue number in PDB)		K86 K87 K88 T89 E90
Binding residue
(residue number reindexed from 1)		K86 K87 K88 T89 E90
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0008289 lipid binding
GO:0009055 electron transfer activity
GO:0020037 heme binding
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0006122 mitochondrial electron transport, ubiquinol to cytochrome c
GO:0006123 mitochondrial electron transport, cytochrome c to oxygen
GO:0006915 apoptotic process
GO:0018063 cytochrome c-heme linkage
GO:0043065 positive regulation of apoptotic process
GO:0043280 positive regulation of cysteine-type endopeptidase activity involved in apoptotic process
GO:2001056 positive regulation of cysteine-type endopeptidase activity
Cellular Component
GO:0005739 mitochondrion
GO:0005758 mitochondrial intermembrane space
GO:0005829 cytosol
GO:0070069 cytochrome complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6suv, PDBe:6suv, PDBj:6suv
PDBsum6suv
PubMed
UniProtP00004|CYC_HORSE Cytochrome c (Gene Name=CYCS)

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