Structure of PDB 7mjp Chain B Binding Site BS01

Receptor Information
>7mjp Chain B (length=338) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RLPKARFIAKSGACNLAHKNIREQGRFLQDIFTTLVDLKWRHTLVIFTMS
FLCSWLLFAIMWWLVAFAHGDIYAYMEKGITEKSGLESAVCVTNVRSFTS
AFLFSIEVQVTIGFGGRMMTEECPLAITVLILQNIVGLIINAVMLGCIFM
KTAQAHRRAETLIFSRHAVIAVRNGKLCFMFRVGDLRKSMIISASVRIQV
VKKTTTPEGEVVPIHQQDIPVDNPIESNNIFLVAPLIICHVIDKRSPLYD
ISATDLVNQDLEVIVILEGVVETTGITTQARTSYIAEEIQWGHRFVSIVT
EEEGVYSVDYSKFGNTVRVAAPRCSARELDEKPSILIQ
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 chain7mjp Chain B Residue 501 [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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PDB7mjp Vascular K ATP channel structural dynamics reveal regulatory mechanism by Mg-nucleotides.
Resolution4.2 Å
Binding residue
(original residue number in PDB)		S194 R195 Y339 S340
Binding residue
(residue number reindexed from 1)		S165 R166 Y310 S311
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:7mjp, PDBe:7mjp, PDBj:7mjp
PDBsum7mjp
PubMed34711681
UniProtQ63664|KCNJ8_RAT ATP-sensitive inward rectifier potassium channel 8 (Gene Name=Kcnj8)

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