Structure of PDB 7mjq Chain A Binding Site BS01

Receptor Information
>7mjq Chain A (length=346) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RKPRIRDRLPKARFIAKSGACNLAHKNIREQGRFLQDIFTTLVDLKWRHT
LVIFTMSFLCSWLLFAIMWWLVAFAHGDIYAYMEKGITEKSGLESAVCVT
NVRSFTSAFLFSIEVQVTIGFGGRMMTEECPLAITVLILQNIVGLIINAV
MLGCIFMKTAQAHRRAETLIFSRHAVIAVRNGKLCFMFRVGDLRKSMIIS
ASVRIQVVKKTTTPEGEVVPIHQQDIPVDNPIESNNIFLVAPLIICHVID
KRSPLYDISATDLVNQDLEVIVILEGVVETTGITTQARTSYIAEEIQWGH
RFVSIVTEEEGVYSVDYSKFGNTVRVAAPRCSARELDEKPSILIQT
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 chain7mjq Chain A Residue 3002 [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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PDB7mjq Vascular K ATP channel structural dynamics reveal regulatory mechanism by Mg-nucleotides.
Resolution4.2 Å
Binding residue
(original residue number in PDB)		F193 R195 Y339 F342 G343
Binding residue
(residue number reindexed from 1)		F171 R173 Y317 F320 G321
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005242 inward rectifier potassium channel activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0015272 ATP-activated inward rectifier potassium channel activity
GO:0017098 sulfonylurea receptor binding
GO:0019829 ATPase-coupled monoatomic cation transmembrane transporter activity
GO:0099508 voltage-gated monoatomic ion channel activity involved in regulation of presynaptic membrane potential
GO:1902282 voltage-gated potassium channel activity involved in ventricular cardiac muscle cell action potential repolarization
Biological Process
GO:0001508 action potential
GO:0001568 blood vessel development
GO:0001666 response to hypoxia
GO:0001774 microglial cell activation
GO:0001822 kidney development
GO:0001944 vasculature development
GO:0002027 regulation of heart rate
GO:0002250 adaptive immune response
GO:0002931 response to ischemia
GO:0003007 heart morphogenesis
GO:0003229 ventricular cardiac muscle tissue development
GO:0006813 potassium ion transport
GO:0006915 apoptotic process
GO:0006950 response to stress
GO:0006954 inflammatory response
GO:0007507 heart development
GO:0008217 regulation of blood pressure
GO:0008283 cell population proliferation
GO:0008340 determination of adult lifespan
GO:0009306 protein secretion
GO:0009410 response to xenobiotic stimulus
GO:0010087 phloem or xylem histogenesis
GO:0010467 gene expression
GO:0015908 fatty acid transport
GO:0019226 transmission of nerve impulse
GO:0030010 establishment of cell polarity
GO:0032496 response to lipopolysaccharide
GO:0032868 response to insulin
GO:0033198 response to ATP
GO:0034097 response to cytokine
GO:0034220 monoatomic ion transmembrane transport
GO:0034765 regulation of monoatomic ion transmembrane transport
GO:0034976 response to endoplasmic reticulum stress
GO:0038066 p38MAPK cascade
GO:0042311 vasodilation
GO:0043330 response to exogenous dsRNA
GO:0044546 NLRP3 inflammasome complex assembly
GO:0045444 fat cell differentiation
GO:0048144 fibroblast proliferation
GO:0050877 nervous system process
GO:0050905 neuromuscular process
GO:0051124 synaptic assembly at neuromuscular junction
GO:0051607 defense response to virus
GO:0060920 cardiac pacemaker cell differentiation
GO:0060922 atrioventricular node cell differentiation
GO:0060976 coronary vasculature development
GO:0061535 glutamate secretion, neurotransmission
GO:0061762 CAMKK-AMPK signaling cascade
GO:0070588 calcium ion transmembrane transport
GO:0071805 potassium ion transmembrane transport
GO:0072359 circulatory system development
GO:0098662 inorganic cation transmembrane transport
GO:0098915 membrane repolarization during ventricular cardiac muscle cell action potential
GO:0099505 regulation of presynaptic membrane potential
GO:0150103 reactive gliosis
GO:1904638 response to resveratrol
GO:1990573 potassium ion import across plasma membrane
Cellular Component
GO:0005886 plasma membrane
GO:0008282 inward rectifying potassium channel
GO:0016020 membrane
GO:0030016 myofibril
GO:0031004 potassium ion-transporting ATPase complex
GO:0032991 protein-containing complex
GO:0034702 monoatomic ion channel complex
GO:0042383 sarcolemma
GO:0048787 presynaptic active zone membrane
GO:0098793 presynapse
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:7mjq, PDBe:7mjq, PDBj:7mjq
PDBsum7mjq
PubMed34711681
UniProtQ63664|KCNJ8_RAT ATP-sensitive inward rectifier potassium channel 8 (Gene Name=Kcnj8)

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