Structure of PDB 7y1m Chain A Binding Site BS03

Receptor Information
>7y1m Chain A (length=1166) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LQPFVNLLSKATYWWMNTLIISAHRKPIDLKAIGKLPIAMRAVTNYVCLK
EAYEEQKKKTPSIWLAMYRAFGRPILLSSTFRYLADLLGFAGPLCISGIV
QRKEFLENAHVLAVLLFLALILQRTFLQASYYVTIETGINLRGALLAMIY
NKILRLSTSNLSMGEMTLGQINNLVAIETNQLMWFLFLCPNLWAMPVQII
MGVILLYNLLGSSALVGAAVIVLLAPIQYFIATKLAEAQKSTLDYSTERL
KKTNEILKGIKLLKLYAWEHIFCKSVEETRMKELSSLKTFALYTSLSIFM
NAAIPIAAVLATFVTHAYASGNNLKPAEAFASLSLFHILVTPLFLLSTVV
RFAVKAIISVQKLNEFLLSDEIVAIKVTNGYFSWGSGLATLSNIDIRIPT
GQLTMIVGQVGCGKSSLLLAILGEMQTLEGKVYWNYSVAYAAQKPWLLNA
TVEENITFGSSFNRQRYKAVTDACSLQPDIDLLPFGDQTEIGERGINLSG
GQRQRICVARALYQNTNIVFLDDPFSALDIHLSDHLMQEGILKFLQDDKR
TVVLVTHKLQYLTHADWIIAMKDGSVLREGTLKDIQTKDVELYEHWKTLM
NRQRLRTKMPWKTCWWYLTSGGFFLLFLMIFSKLLKHSVIVAIDYWLATW
TSEYDQTFYVAGFSILCGAGIFLCLVTSLTVEWMGLTAAKNLHHNLLNKI
ILGPIRFFDTTPLGLILNRFSADTNIIDQHIPPTLESLTRSTLLCLSAIG
MISYATPVFLIALAPLGVAFYFIQKYFRVASKDLQELDDSTQLPLLCHFS
ETAEGLTTIRAFRHETRFKQRMLELTDTNNIAYLFLSAANRWLEVRTDYL
GACIVLTASIASISGSSNSGLVGLGLLYALTITNYLNWVVRNLADLEVQM
GAVKKVNSFLTMESENYEGTMDPSQVPEHWPQEGEIKIHDLCVRYENNLK
PVLKHVKAYIKPGQKVGICGRTGSGKSSLSLAFFRMVDIFDGKIVIDGID
ISKLPLHTLRSRLSIILQDPILFSGSIRFNLDPECKCTDDRLWEALEIAQ
LKNMVKSLPGGLDATVTEGGENFSVGQRQLFCLARAFVRKSSILIMDEAT
ASIDMATENILQKVVMTAFADRTVVTIAHRVHTILTADLVIVMKRGNILE
YDTPESLLAGVFASFV
Ligand information
Ligand IDBJX
InChIInChI=1S/C27H36N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32)/t23-/m0/s1
InChIKeyFAEKWTJYAYMJKF-QHCPKHFHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCOc1cc(ccc1C(=O)O)CC(=O)N[C@@H](CC(C)C)c2ccccc2N3CCCCC3
ACDLabs 12.01C(CC(c1ccccc1N2CCCCC2)NC(Cc3ccc(c(c3)OCC)C(=O)O)=O)(C)C
OpenEye OEToolkits 2.0.6CCOc1cc(ccc1C(=O)O)CC(=O)NC(CC(C)C)c2ccccc2N3CCCCC3
CACTVS 3.385CCOc1cc(CC(=O)N[CH](CC(C)C)c2ccccc2N3CCCCC3)ccc1C(O)=O
CACTVS 3.385CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N3CCCCC3)ccc1C(O)=O
FormulaC27 H36 N2 O4
NameRepaglinide;
2-ethoxy-4-[2-({(1S)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl}amino)-2-oxoethyl]benzoic acid
ChEMBLCHEMBL1272
DrugBankDB00912
ZINCZINC000003798537
PDB chain7y1m Chain A Residue 1604 [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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PDB7y1m The inhibition mechanism of the SUR2A-containing K ATP channel by a regulatory helix.
Resolution3.57 Å
Binding residue
(original residue number in PDB)		Y370 I374 W423 N430 L584 R1213 W1260 R1263
Binding residue
(residue number reindexed from 1)		Y131 I135 W184 N191 L345 R841 W888 R891
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005267 potassium channel activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008281 sulfonylurea receptor activity
GO:0015459 potassium channel regulator activity
GO:0016887 ATP hydrolysis activity
GO:0019829 ATPase-coupled monoatomic cation transmembrane transporter activity
GO:0019905 syntaxin binding
GO:0042626 ATPase-coupled transmembrane transporter activity
GO:0044325 transmembrane transporter binding
GO:0044877 protein-containing complex binding
GO:0099104 potassium channel activator activity
GO:0140359 ABC-type transporter activity
GO:1901363 heterocyclic compound binding
Biological Process
GO:0000165 MAPK cascade
GO:0001508 action potential
GO:0001568 blood vessel development
GO:0001666 response to hypoxia
GO:0003007 heart morphogenesis
GO:0003018 vascular process in circulatory system
GO:0006357 regulation of transcription by RNA polymerase II
GO:0006813 potassium ion transport
GO:0006932 substrate-dependent cell migration, cell contraction
GO:0006950 response to stress
GO:0007005 mitochondrion organization
GO:0007507 heart development
GO:0007519 skeletal muscle tissue development
GO:0008015 blood circulation
GO:0008217 regulation of blood pressure
GO:0009410 response to xenobiotic stimulus
GO:0010467 gene expression
GO:0014823 response to activity
GO:0019395 fatty acid oxidation
GO:0033198 response to ATP
GO:0035864 response to potassium ion
GO:0035865 cellular response to potassium ion
GO:0036293 response to decreased oxygen levels
GO:0042311 vasodilation
GO:0042391 regulation of membrane potential
GO:0042542 response to hydrogen peroxide
GO:0043066 negative regulation of apoptotic process
GO:0043627 response to estrogen
GO:0045333 cellular respiration
GO:0045776 negative regulation of blood pressure
GO:0046034 ATP metabolic process
GO:0048144 fibroblast proliferation
GO:0051607 defense response to virus
GO:0055085 transmembrane transport
GO:0060976 coronary vasculature development
GO:0061337 cardiac conduction
GO:0062197 cellular response to chemical stress
GO:0070482 response to oxygen levels
GO:0071277 cellular response to calcium ion
GO:0071318 cellular response to ATP
GO:0071466 cellular response to xenobiotic stimulus
GO:0071805 potassium ion transmembrane transport
GO:0072359 circulatory system development
GO:0072592 oxygen metabolic process
GO:0086003 cardiac muscle cell contraction
GO:0097746 blood vessel diameter maintenance
GO:0098655 monoatomic cation transmembrane transport
GO:0098662 inorganic cation transmembrane transport
GO:1901379 regulation of potassium ion transmembrane transport
GO:1901652 response to peptide
GO:1903409 reactive oxygen species biosynthetic process
GO:1904880 response to hydrogen sulfide
GO:1990573 potassium ion import across plasma membrane
Cellular Component
GO:0001669 acrosomal vesicle
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005886 plasma membrane
GO:0008282 inward rectifying potassium channel
GO:0016020 membrane
GO:0030017 sarcomere
GO:0030315 T-tubule
GO:0031004 potassium ion-transporting ATPase complex
GO:0032991 protein-containing complex
GO:0042383 sarcolemma

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7y1m, PDBe:7y1m, PDBj:7y1m
PDBsum7y1m
PubMed37330603
UniProtQ63563|ABCC9_RAT ATP-binding cassette sub-family C member 9 (Gene Name=Abcc9)

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