Structure of PDB 7u1q Chain E Binding Site BS02

Receptor Information
>7u1q Chain E (length=1434) Species: 10034 (Cricetus cricetus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MPLAFCGTENHSAAYRVDQGVLNNGCFVDALNVVPHVFLLFITFPILFIG
WGSQSSKVHIHHSTWLHFPGHNLRWILTFILLFVLVCEIAEGILSDGVTE
SRHLHLYMPAGMAFMAAITSVVYYHNIETSNFPKLLIALLIYWTLAFITK
TIKFVKFYDHAIGFSQLRFCLTGLLVILYGMLLLVEVNVIRVRRYIFFKT
PREVKPPEDLQDLGVRFLQPFVNLLSKGTYWWMNAFIKTAHKKPIDLRAI
AKLPIAMRALTNYQRLCVAFDAQARKDTQSPQGARAIWRALCHAFGRRLI
LSSTFRILADLLGFAGPLCIFGIVDHLGKENHVFQPKTQFLGVYFVSSQE
FLGNAYVLAVLLFLALLLQRTFLQASYYVAIETGINLRGAIQTKIYNKIM
HMSTSNLSMGEMTAGQICNLVAIDTNQLMWFFFLCPNLWTMPVQIIVGVI
LLYYILGVSALIGAAVIILLAPVQYFVATKLSQAQRTTLEHSNERLKQTN
EMLRGMKLLKLYAWESIFCSRVEVTRRKEMTSLRAFAVYTSISIFMNTAI
PIAAVLITFVGHVSFFKESDLSPSVAFASLSLFHILVTPLFLLSSVVRST
VKALVSVQKLSEFLSSAEIRENFCVQIIGGFFTWTPDGIPTLSNITIRIP
RGQLTMIVGQVGCGKSSLLLATLGEMQKVSGAVFWNSNSRGPVAYASQKP
WLLNATVEENITFESPFNKQRYKMVIEACSLQPDIDILPHGDQTQIGERG
INLSGGQRQRISVARALYQQTNVVFLDDPFSALDVHLSDHLMQAGILELL
RDDKRTVVLVTHKLQYLPHADWIIAMKDGTIQREGTLKDFQRSECQLFLS
SVLHQRAKIPWRACTKYLSSAGILLLSLLVFSQLLKHMVLVAIDYWLAKW
TDSALVCSLSQECDLDQSVYAMVFTLLCSLGIVLCLVTSVTVEWTGLKVA
KRLHRSLLNRIILAPMRFFETTPLGSILNRFSSDCNTIDQHIPSTLECLS
RSTLLCVSALTVISYVTPVFLVALLPLAVVCYFIQKYFRVASRDLQQLDD
TTQLPLVSHFAETVEGLTTIRAFRYEARFQQKLLEYTDSNNIASLFLTAA
NRWLEVCMEYIGACVVLIAAATSISNSLHRELSAGLVGLGLTYALMVSNY
LNWMVRNLADMEIQLGAVKRIHALLKTEAESYEGLLAPSLIPKNWPDQGK
IQIQNLSVRYDSSLKPVLKHVNTLISPGQKIGICGRTGSGKSSFSLAFFR
MVDMFEGRIIIDGIDIAKLPLHTLRSRLSIILQDPVLFSGTIRFNLDPEK
KCSDSTLWEALEIAQLKLVVKALPGGLDAIITEGGENFSQGQRQLFCLAR
AFVRKTSIFIMDEATASIDMATENILQKVVMTAFADRTVVTIAHRVHTIL
SADLVMVLKRGAILEFDKPETLLSQKDSVFASFV
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 chain7u1q Chain E Residue 1603 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7u1q Ligand-mediated Structural Dynamics of a Mammalian Pancreatic K ATP Channel.
Resolution3.9 Å
Binding residue
(original residue number in PDB)		Y377 L434 N437 L592 S595 N1245 R1246 W1297 R1300
Binding residue
(residue number reindexed from 1)		Y377 L434 N437 L592 S595 N1101 R1102 W1153 R1156
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005267 potassium channel activity
GO:0005524 ATP binding
GO:0008281 sulfonylurea receptor activity
GO:0016887 ATP hydrolysis activity
GO:0042626 ATPase-coupled transmembrane transporter activity
GO:0140359 ABC-type transporter activity
Biological Process
GO:0006813 potassium ion transport
GO:0055085 transmembrane transport
GO:0071805 potassium ion transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0032991 protein-containing complex

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7u1q, PDBe:7u1q, PDBj:7u1q
PDBsum7u1q
PubMed35964676
UniProtQ09427|ABCC8_CRICR ATP-binding cassette sub-family C member 8 (Gene Name=ABCC8)

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