Structure of PDB 7u1s Chain E Binding Site BS02

Receptor Information
>7u1s Chain E (length=1439) 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
VKALVSVQKLSEFLSSAEIREEQCAPNFCVQIIGGFFTWTPDGIPTLSNI
TIRIPRGQLTMIVGQVGCGKSSLLLATLGEMQKVSGAVFWNSNSRGPVAY
ASQKPWLLNATVEENITFESPFNKQRYKMVIEACSLQPDIDILPHGDQTQ
IGERGINLSGGQRQRISVARALYQQTNVVFLDDPFSALDVHLSDHLMQAG
ILELLRDDKRTVVLVTHKLQYLPHADWIIAMKDGTIQREGTLKDFQRSEC
QLFLSSVLHQRAKIPWRACTKYLSSAGILLLSLLVFSQLLKHMVLVAIDY
WLAKWTDSALVCSLSQECDLDQSVYAMVFTLLCSLGIVLCLVTSVTVEWT
GLKVAKRLHRSLLNRIILAPMRFFETTPLGSILNRFSSDCNTIDQHIPST
LECLSRSTLLCVSALTVISYVTPVFLVALLPLAVVCYFIQKYFRVASRDL
QQLDDTTQLPLVSHFAETVEGLTTIRAFRYEARFQQKLLEYTDSNNIASL
FLTAANRWLEVCMEYIGACVVLIAAATSISNSLHRELSAGLVGLGLTYAL
MVSNYLNWMVRNLADMEIQLGAVKRIHALLKTEAESYEGLLAPSLIPKNW
PDQGKIQIQNLSVRYDSSLKPVLKHVNTLISPGQKIGICGRTGSGKSSFS
LAFFRMVDMFEGRIIIDGIDIAKLPLHTLRSRLSIILQDPVLFSGTIRFN
LDPEKKCSDSTLWEALEIAQLKLVVKALPGGLDAIITEGGENFSQGQRQL
FCLARAFVRKTSIFIMDEATASIDMATENILQKVVMTAFADRTVVTIAHR
VHTILSADLVMVLKRGAILEFDKPETLLSQKDSVFASFV
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 chain7u1s Chain E Residue 1602 [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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PDB7u1s Ligand-mediated Structural Dynamics of a Mammalian Pancreatic K ATP Channel.
Resolution3.8 Å
Binding residue
(original residue number in PDB)		R306 Y377 I381 L434 L592 N1245 R1246 W1297
Binding residue
(residue number reindexed from 1)		R306 Y377 I381 L434 L592 N1106 R1107 W1158
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
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Cellular Component
External links
PDB RCSB:7u1s, PDBe:7u1s, PDBj:7u1s
PDBsum7u1s
PubMed35964676
UniProtQ09427|ABCC8_CRICR ATP-binding cassette sub-family C member 8 (Gene Name=ABCC8)

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