BioLiP

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 ID

PDN

InChI

InChI=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

InChIKey

WZTZVUUYKIOIRV-LMZHSBCYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	CC12CC(=O)C3C(C1CCC2(C(=CO)O)O)CCC4=CC(=O)C=CC34C
CACTVS 3.341	C[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 1.5.0	C[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 10.04	O=C2CC4(C(C3CCC1=CC(=O)C=CC1(C)C23)CCC4(O)C(\O)=C\O)C
CACTVS 3.341	C[C]12CC(=O)[CH]3[CH](CCC4=CC(=O)C=C[C]34C)[CH]1CC[C]2(O)C(O)=CO

Formula

C21 H26 O5

Name

17,21-DIHYDROXYPREGNA-1,4-DIENE-3,11,20-TRIONE;
PREDNISONE;
1,4 PREGNADIENE-17ALPHA,21-DIOL-3,11,20-TRIONE;
1-CORTISONE;
DEHYDROCORTISONE

PDB chain

3eau Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

Global view

Local view

Structure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

PDB	3eau Cortisone dissociates the Shaker family K+ channels from their beta subunits.
Resolution	1.82 Å
Binding residue (original residue number in PDB)	I208 I211 I236
Binding residue (residue number reindexed from 1)	I174 I177 I202
Annotation score	1

Enzyme Commision number

1.1.1.-

	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

PDB	RCSB:3eau, PDBe:3eau, PDBj:3eau
PDBsum	3eau
PubMed	18806782
UniProt	P62483\|KCAB2_RAT Voltage-gated potassium channel subunit beta-2 (Gene Name=Kcnab2)

[Back to BioLiP]

Structure of PDB 3eau Chain A Binding Site BS03