Structure of PDB 7u24 Chain E Binding Site BS03
Receptor Information
>7u24 Chain E (length=1427) Species:
10034
(Cricetus cricetus) [
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MPLAFCGTENHSAAYRVDQGVLNNGCFVDALNVVPHVFLLFITFPILFIG
WGSQSSKVHIHHSTWLHFPGHNLRWILTFILLFVLVCEIAEGILSDGVTE
SRHLHLYMPAGMAFMAAITSVVYYHNIETSNFPKLLIALLIYWTLAFITK
TIKFVKFYDHAIGFSQLRFCLTGLLVILYGMLLLVEVNVIRVRRYIFFKT
PREVKPPEDLQDLGVRFLQPFVNLLSKGTYWWMNAFIKTAHKKPIDLRAI
AKLPIAMRALTNYQRLCVAFDAQARKDTQSPQGARAIWRALCHAFGRRLI
LSSTFRILADLLGFAGPLCIFGIVDHLGKENHVFQPKTQFLGVYFVSSQE
FLGNAYVLAVLLFLALLLQRTFLQASYYVAIETGINLRGAIQTKIYNKIM
MSTSNLSMGEMTAGQICNLVAIDTNQLMWFFFLCPNLWTMPVQIIVGVIL
LYYILGVSALIGAAVIILLAPVQYFVATKLSQAQRTTLEHSNERLKQTNE
MLRGMKLLKLYAWESIFCSRVEVTRRKEMTSLRAFAVYTSISIFMNTAIP
IAAVLITFVGHVSFFKESDLSPSVAFASLSLFHILVTPLFLLSSVVRSTV
KALVSVQKLSEFLSSAEIRECVQIIGGFFTWTPDGIPTLSNITIRIPRGQ
LTMIVGQVGCGKSSLLLATLGEMQKVSGAVFWNSNRSRGPVAYASQKPWL
LNATVEENITFESPFNKQRYKMVIEACSLQPDIDILPHGDQTQIGERGIN
LSGGQRQRISVARALYQQTNVVFLDDPFSALDVHLSDHLMQAGILELLRD
DKRTVVLVTHKLQYLPHADWIIAMKDGTIQREGTLKDFQRSECQLFEHWL
SSVLHQRAKIPWRACTKYLSSAGILLLSLLVFSQLLKHMVLVAIDYWLAK
WTDSALVLDQSVYAMVFTLLCSLGIVLCLVTSVTVEWTGLKVAKRLHRSL
LNRIILAPMRFFETTPLGSILNRFSSDCNTIDQHIPSTLECLSRSTLLCV
SALTVISYVTPVFLVALLPLAVVCYFIQKYFRVASRDLQQLDDTTQLPLV
SHFAETVEGLTTIRAFRYEARFQQKLLEYTDSNNIASLFLTAANRWLEVC
MEYIGACVVLIAAATSISNSLHRELSAGLVGLGLTYALMVSNYLNWMVRN
LADMEIQLGAVKRIHALLKTEAESYEGLLAPSLIPKNWPDQGKIQIQNLS
VRYDSSLKPVLKHVNTLISPGQKIGICGRTGSGKSSFSLAFFRMVDMFEG
RIIIDGIDIAKLPLHTLRSRLSIILQDPVLFSGTIRFNLDPEKKCSDSTL
WEALEIAQLKLVVKALPGGLDAIITEGGENFSQGQRQLFCLARAFVRKTS
IFIMDEATASIDMATENILQKVVMTAFADRTVVTIAHRVHTILSADLVMV
LKRGAILEFDKPETLLSQKDSVFASFV
Ligand information
Ligand ID
ATP
InChI
InChI=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
InChIKey
ZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04
O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0
c1nc(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 3.341
Nc1ncnc2n(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
Formula
C10 H16 N5 O13 P3
Name
ADENOSINE-5'-TRIPHOSPHATE
ChEMBL
CHEMBL14249
DrugBank
DB00171
ZINC
ZINC000004261765
PDB chain
7u24 Chain E Residue 2002 [
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Receptor-Ligand Complex Structure
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PDB
7u24
Ligand-mediated Structural Dynamics of a Mammalian Pancreatic K ATP Channel.
Resolution
3.58 Å
Binding residue
(original residue number in PDB)
W688 G716 C717 G718 K719 S720 Q775
Binding residue
(residue number reindexed from 1)
W631 G659 C660 G661 K662 S663 Q696
Annotation score
1
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:7u24
,
PDBe:7u24
,
PDBj:7u24
PDBsum
7u24
PubMed
35964676
UniProt
Q09427
|ABCC8_CRICR ATP-binding cassette sub-family C member 8 (Gene Name=ABCC8)
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