Structure of PDB 7uaa Chain E Binding Site BS01

Receptor Information
>7uaa Chain E (length=1430) 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
VKALVSVQKLSEFLSSAEIREEQCNFCVQIIGGFFTWTPDGIPTLSNITI
RIPRGQLTMIVGQVGCGKSSLLLATLGEMQKVSGAVFWNSNRGPVAYASQ
KPWLLNATVEENITFESPFNKQRYKMVIEACSLQPDIDILPHGDQTQIGE
RGINLSGGQRQRISVARALYQQTNVVFLDDPFSALDVHLSDHLMQAGILE
LLRDDKRTVVLVTHKLQYLPHADWIIAMKDGTIQREGTLKDFQRSECQLF
EHWKSSVLHQRAKIPWRACTKYLSSAGILLLSLLVFSQLLKHMVLVAIDY
WLAKWTDSALVDQSVYAMVFTLLCSLGIVLCLVTSVTVEWTGLKVAKRLH
RSLLNRIILAPMRFFETTPLGSILNRFSSDCNTIDQHIPSTLECLSRSTL
LCVSALTVISYVTPVFLVALLPLAVVCYFIQKYFRVASRDLQQLDDTTQL
PLVSHFAETVEGLTTIRAFRYEARFQQKLLEYTDSNNIASLFLTAANRWL
EVCMEYIGACVVLIAAATSISNSLHRELSAGLVGLGLTYALMVSNYLNWM
VRNLADMEIQLGAVKRIHALLKTEAESYEGLLAPSLIPKNWPDQGKIQIQ
NLSVRYDSSLKPVLKHVNTLISPGQKIGICGRTGSGKSSFSLAFFRMVDM
FEGRIIIDGIDIAKLPLHTLRSRLSIILQDPVLFSGTIRFNLDPEKKCSD
STLWEALEIAQLKLVVKALPGGLDAIITEGGENFSQGQRQLFCLARAFVR
KTSIFIMDEATASIDMATENILQKVVMTAFADRTVVTIAHRVHTILSADL
VMVLKRGAILEFDKPETLLSQKDSVFASFV
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 chain7uaa 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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PDB7uaa Ligand-mediated Structural Dynamics of a Mammalian Pancreatic K ATP Channel.
Resolution5.7 Å
Binding residue
(original residue number in PDB)		G716 S720 S721
Binding residue
(residue number reindexed from 1)		G665 S669 S670
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7uaa, PDBe:7uaa, PDBj:7uaa
PDBsum7uaa
PubMed35964676
UniProtQ09427|ABCC8_CRICR ATP-binding cassette sub-family C member 8 (Gene Name=ABCC8)

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