Structure of PDB 7u1e Chain E Binding Site BS01

Receptor Information
>7u1e Chain E (length=1432) Species: 10034 (Cricetus cricetus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MPLAFCGTENHSAAYRVDQGVLNNGCFVDALNVVPHVFLLFITFPILFIG
WHIHHSTWLHFPGHNLRWILTFILLFVLVCEIAEGILSDGVTESRHLHLY
MPAGMAFMAAITSVVYYHNIETSNFPKLLIALLIYWTLAFITKTIKFVKF
YDHAIGFSQLRFCLTGLLVILYGMLLLVEVNVIRVRRYIFFKTPREVKPP
EDLQDLGVRFLQPFVNLLSKGTYWWMNAFIKTAHKKPIDLRAIAKLPIAM
RALTNYQRLCVAFDAQARKDTQSPQGARAIWRALCHAFGRRLILSSTFRI
LADLLGFAGPLCIFGIVDHLGKENHVFQPKTQFLGVYFVSSQEFLGNAYV
LAVLLFLALLLQRTFLQASYYVAIETGINLRGAIQTKIYNKIMHMSTSNL
SMGEMTAGQICNLVAIDTNQLMWFFFLCPNLWTMPVQIIVGVILLYYILG
VSALIGAAVIILLAPVQYFVATKLSQAQRTTLEHSNERLKQTNEMLRGMK
LLKLYAWESIFCSRVEVTRRKEMTSLRAFAVYTSISIFMNTAIPIAAVLI
TFVGHVSFFKESDLSPSVAFASLSLFHILVTPLFLLSSVVRSTVKALVSV
QKLSEFLSSAEIREEQCVQIIGGFFTWTPDGIPTLSNITIRIPRGQLTMI
VGQVGCGKSSLLLATLGEMQKVSGAVFWNSNLDIRSRGPVAYASQKPWLL
NATVEENITFESPFNKQRYKMVIEACSLQPDIDILPHGDQTQIGERGINL
SGGQRQRISVARALYQQTNVVFLDDPFSALDVHLSDHLMQAGILELLRDD
KRTVVLVTHKLQYLPHADWIIAMKDGTIQREGTLKDFQRSECQLFEHWSE
EDDNLSSVLHQRAKIPWRACTKYLSSAGILLLSLLVFSQLLKHMVLVAID
YWLAKWTDSALVLDQSVYAMVFTLLCSLGIVLCLVTSVTVEWTGLKVAKR
LHRSLLNRIILAPMRFFETTPLGSILNRFSSDCNTIDQHIPSTLECLSRS
TLLCVSALTVISYVTPVFLVALLPLAVVCYFIQKYFRVASRDLQQLDDTT
QLPLVSHFAETVEGLTTIRAFRYEARFQQKLLEYTDSNNIASLFLTAANR
WLEVCMEYIGACVVLIAAATSISNSLHRELSAGLVGLGLTYALMVSNYLN
WMVRNLADMEIQLGAVKRIHALLKTEAESYEGLLAPSLIPKNWPDQGKIQ
IQNLSVRYDSSLKPVLKHVNTLISPGQKIGICGRTGSGKSSFSLAFFRMV
DMFEGRIIIDGIDIAKLPLHTLRSRLSIILQDPVLFSGTIRFNLDPEKKC
SDSTLWEALEIAQLKLVVKALPGGLDAIITEGGENFSQGQRQLFCLARAF
VRKTSIFIMDEATASIDMATENILQKVVMTAFADRTVVTIAHRVHTILSA
DLVMVLKRGAILEFDKPETLLSQKDSVFASFV
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 chain7u1e Chain E Residue 1601 [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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PDB7u1e Ligand-mediated Structural Dynamics of a Mammalian Pancreatic K ATP Channel.
Resolution4.52 Å
Binding residue
(original residue number in PDB)		W688 G716 C717 G718 K719 S720 Q775
Binding residue
(residue number reindexed from 1)		W627 G655 C656 G657 K658 S659 Q695
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:7u1e, PDBe:7u1e, PDBj:7u1e
PDBsum7u1e
PubMed35964676
UniProtQ09427|ABCC8_CRICR ATP-binding cassette sub-family C member 8 (Gene Name=ABCC8)

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