Structure of PDB 5yw9 Chain C Binding Site BS01

Receptor Information
>5yw9 Chain C (length=325) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RARFVSKKGNCNVAHKNIREQGRFLQDVFTTLVDLKWPHTLLIFTMSFLC
SWLLFAMVWWLIAFAHGDLAPGEGTNVPCVTSIHSFSSAFLFSIEVQVTI
GFGGRMVTEECPLAILILIVQNIVGLMINAIMLGCIFMKTAQAHRRAETL
IFSKHAVITLRHGRLCFMLRVGDLRKSMIISATIHMQVVRKTTSPEGEVV
PLHQVDIPMENGVGGNGIFLVAPLIIYHVIDSNSPLYDLAPSDLHHHQDL
EIIVILEGVVETTGITTQARTSYLADEILWGQRFVPIVAEEDGRYSVDYS
KFGNTIKVPTPLCTARQLDEDRSLL
Ligand information
Ligand IDAGS
InChIInChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/t4-,6-,7-,10-/m1/s1
InChIKeyNLTUCYMLOPLUHL-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[C@@H](O)[C@H]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
ACDLabs 12.01O=P(O)(OP(=S)(O)O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
FormulaC10 H16 N5 O12 P3 S
NamePHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER;
ATP-GAMMA-S;
ADENOSINE 5'-(3-THIOTRIPHOSPHATE);
ADENOSINE 5'-(GAMMA-THIOTRIPHOSPHATE);
ADENOSINE-5'-DIPHOSPHATE MONOTHIOPHOSPHATE
ChEMBLCHEMBL131890
DrugBankDB02930
ZINCZINC000008295128
PDB chain5yw9 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5yw9 Ligand binding and conformational changes of SUR1 subunit in pancreatic ATP-sensitive potassium channels.
Resolution5.0 Å
Binding residue
(original residue number in PDB)		I182 F183 K185 Y330 G334
Binding residue
(residue number reindexed from 1)		I151 F152 K154 Y299 G303
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005242 inward rectifier potassium channel activity
GO:0005249 voltage-gated potassium channel activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0015272 ATP-activated inward rectifier potassium channel activity
GO:0019829 ATPase-coupled monoatomic cation transmembrane transporter activity
GO:0030506 ankyrin binding
GO:0030955 potassium ion binding
GO:0031072 heat shock protein binding
GO:0044325 transmembrane transporter binding
GO:0099508 voltage-gated monoatomic ion channel activity involved in regulation of presynaptic membrane potential
Biological Process
GO:0001508 action potential
GO:0001666 response to hypoxia
GO:0002931 response to ischemia
GO:0003229 ventricular cardiac muscle tissue development
GO:0006006 glucose metabolic process
GO:0006813 potassium ion transport
GO:0006915 apoptotic process
GO:0006950 response to stress
GO:0008340 determination of adult lifespan
GO:0009410 response to xenobiotic stimulus
GO:0031669 cellular response to nutrient levels
GO:0032355 response to estradiol
GO:0033198 response to ATP
GO:0033574 response to testosterone
GO:0034220 monoatomic ion transmembrane transport
GO:0042391 regulation of membrane potential
GO:0046676 negative regulation of insulin secretion
GO:0050796 regulation of insulin secretion
GO:0050877 nervous system process
GO:0061762 CAMKK-AMPK signaling cascade
GO:0071316 cellular response to nicotine
GO:0071333 cellular response to glucose stimulus
GO:0071356 cellular response to tumor necrosis factor
GO:0071805 potassium ion transmembrane transport
GO:0098662 inorganic cation transmembrane transport
GO:0099505 regulation of presynaptic membrane potential
GO:1903078 positive regulation of protein localization to plasma membrane
GO:1904638 response to resveratrol
GO:1990573 potassium ion import across plasma membrane
Cellular Component
GO:0001669 acrosomal vesicle
GO:0005635 nuclear envelope
GO:0005737 cytoplasm
GO:0005768 endosome
GO:0005886 plasma membrane
GO:0008282 inward rectifying potassium channel
GO:0014704 intercalated disc
GO:0016020 membrane
GO:0030315 T-tubule
GO:0030673 axolemma
GO:0034702 monoatomic ion channel complex
GO:0042383 sarcolemma
GO:0042734 presynaptic membrane
GO:0043025 neuronal cell body
GO:0070852 cell body fiber
GO:0098978 glutamatergic synapse

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5yw9, PDBe:5yw9, PDBj:5yw9
PDBsum5yw9
PubMed29594720
UniProtQ61743|KCJ11_MOUSE ATP-sensitive inward rectifier potassium channel 11 (Gene Name=Kcnj11)

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