Structure of PDB 3eau Chain A Binding Site BS01
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 ID
NDP
InChI
InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChIKey
ACFIXJIJDZMPPO-NNYOXOHSSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N
CACTVS 3.341
NC(=O)C1=CN(C=CC1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
CACTVS 3.341
NC(=O)C1=CN(C=CC1)[C@@H]2O[C@H](CO[P@@](O)(=O)O[P@](O)(=O)OC[C@H]3O[C@H]([C@H](O[P](O)(O)=O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N
Formula
C21 H30 N7 O17 P3
Name
NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
ChEMBL
CHEMBL407009
DrugBank
DB02338
ZINC
ZINC000008215411
PDB chain
3eau Chain A Residue 1001 [
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
]
[
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)
G55 W57 Q63 D85 Y90 K118 S188 Q214 W243 S244 P245 L246 A247 C248 G249 K254 R264 L321 L322 G323 S325 Q329 E332 N333
Binding residue
(residue number reindexed from 1)
G21 W23 Q29 D51 Y56 K84 S154 Q180 W209 S210 P211 L212 A213 C214 G215 K220 R230 L287 L288 G289 S291 Q295 E298 N299
Annotation score
1
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
View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
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
]