Structure of PDB 7mit Chain B Binding Site BS03

Receptor Information
>7mit Chain B (length=337) 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
EEEGVYSVDYSKFGNTVRVAAPRCSARELDEKPSILI
Ligand information
Ligand IDP5S
InChIInChI=1S/C42H82NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39H,3-37,43H2,1-2H3,(H,46,47)(H,48,49)/t38-,39+/m1/s1
InChIKeyTZCPCKNHXULUIY-RGULYWFUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCCCC
CACTVS 3.370CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCCCC
ACDLabs 12.01O=C(OC(COP(=O)(OCC(C(=O)O)N)O)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCCCCCCCCCCCCCC
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCCCCCC
FormulaC42 H82 N O10 P
NameO-[(R)-{[(2R)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine;
phosphatidyl serine
ChEMBLCHEMBL4297669
DrugBankDB00144
ZINCZINC000085588270
PDB chain7mit Chain B Residue 504 [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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PDB7mit Vascular K ATP channel structural dynamics reveal regulatory mechanism by Mg-nucleotides.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		K68 W69 R70
Binding residue
(residue number reindexed from 1)		K39 W40 R41
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:7mit, PDBe:7mit, PDBj:7mit
PDBsum7mit
PubMed34711681
UniProtQ63664|KCNJ8_RAT ATP-sensitive inward rectifier potassium channel 8 (Gene Name=Kcnj8)

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