Structure of PDB 6baa Chain B Binding Site BS02

Receptor Information
>6baa Chain B (length=321) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RARFVSKKGNCNVAHKNIREQGRFLQDVFTTLVDLKWPHTLLIFTMSFLC
SWLLFAMVWWLIAFAHGDLAPGEGTNVPCVTSIHSFSSAFLFSIEVQVTI
GFGGRMVTEECPLAILILIVQNIVGLMINAIMLGCIFMKTAQAHRRAETL
IFSKHAVITPRHGRLCFMLRVGDLRKSMIISATIHMQVVRKTTSPEGEVV
PLHQVDIPMENGVGGNSIFLVAPLIIYHVIDSNSPLYDLAPSDLHHHQDL
EIIVILEGVVETTGITTQARTSYLADEILWGQRFVPIVAEEDGRYSVDYS
KFGNTVKVPTPLCTARQLDED
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain6baa Chain C 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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PDB6baa Anti-diabetic drug binding site in a mammalian KATPchannel revealed by Cryo-EM.
Resolution3.63 Å
Binding residue
(original residue number in PDB)		I49 R50
Binding residue
(residue number reindexed from 1)		I18 R19
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: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:0034765 regulation of 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:6baa, PDBe:6baa, PDBj:6baa
PDBsum6baa
PubMed29035201
UniProtP70673|KCJ11_RAT ATP-sensitive inward rectifier potassium channel 11 (Gene Name=Kcnj11)

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