Structure of PDB 3eau Chain A Binding Site BS02

Receptor Information
>3eau Chain A (length=327) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLQFYRNLGKSGLRVSCLGLGTWVTFGGQITDEMAEHLMTLAYDNGINLF
DTAEVYAAGKAEVVLGNIIKKKGWRRSSLVITTKIFWGGKAETERGLSRK
HIIEGLKASLERLQLEYVDVVFANRPDPNTPMEETVRAMTHVINQGMAMY
WGTSRWSSMEIMEAYSVARQFNLIPPICEQAEYHMFQREKVEVQLPELFH
KIGVGAMTWSPLACGIVSGKYDSGIPPYSRASLKGYQWLKDKILSEEGRR
QQAKLKELQAIAERLGCTLPQLAIAWCLRNEGVSSVLLGASNAEQLMENI
GAIQVLPKLSSSIVHEIDSILGNKPYS
Ligand information
Ligand IDPDN
InChIInChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,11,14-15,18,22,25-26H,3-4,6,8,10H2,1-2H3/b17-11-/t14-,15-,18+,19-,20-,21-/m0/s1
InChIKeyWZTZVUUYKIOIRV-LMZHSBCYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC12CC(=O)C3C(C1CCC2(C(=CO)O)O)CCC4=CC(=O)C=CC34C
CACTVS 3.341C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)\C(O)=C\O
OpenEye OEToolkits 1.5.0C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=CO)O)O)CCC4=CC(=O)C=C[C@]34C
ACDLabs 10.04O=C2CC4(C(C3CCC1=CC(=O)C=CC1(C)C23)CCC4(O)C(\O)=C\O)C
CACTVS 3.341C[C]12CC(=O)[CH]3[CH](CCC4=CC(=O)C=C[C]34C)[CH]1CC[C]2(O)C(O)=CO
FormulaC21 H26 O5
Name17,21-DIHYDROXYPREGNA-1,4-DIENE-3,11,20-TRIONE;
PREDNISONE;
1,4 PREGNADIENE-17ALPHA,21-DIOL-3,11,20-TRIONE;
1-CORTISONE;
DEHYDROCORTISONE
ChEMBL
DrugBank
ZINCZINC000118913122
PDB chain3eau Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3eau Cortisone dissociates the Shaker family K+ channels from their beta subunits.
Resolution1.82 Å
Binding residue
(original residue number in PDB)		W57 V89 Y90 W121 N158 R189
Binding residue
(residue number reindexed from 1)		W23 V55 Y56 W87 N124 R155
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.1.-
Gene Ontology
Molecular Function
GO:0005249 voltage-gated potassium channel activity
Biological Process
GO:0006813 potassium ion transport
GO:0055085 transmembrane transport
Cellular Component
GO:0005737 cytoplasm
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3eau, PDBe:3eau, PDBj:3eau
PDBsum3eau
PubMed18806782
UniProtP62483|KCAB2_RAT Voltage-gated potassium channel subunit beta-2 (Gene Name=Kcnab2)

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