Structure of PDB 7w4o Chain D Binding Site BS04

Receptor Information
>7w4o Chain D (length=1411) Species: 10036 (Mesocricetus auratus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLAFCGTENHSAAYRVDQGVLNNGCFVDALNVVPHVFLLFITFPILFIGW
GSQSSKVHIHHSTWLHFPGHNLRWILTFILLFVLVCEIAEGILSDGVTES
RHLHLYMPAGMAFMAAITSVVYYHNIETSNFPKLLIALLIYWTLAFITKT
IKFVKFYDHAIGFSQLRFCLTGLLVILYGMLLLVEVNVIRVRRYIFFKTP
REVKPPEDLQDLGVRFLQPFVNLLSKGTYWWMNAFIKTAHKKPIDLRAIG
KLPIAMRALTNYQRLCVAFDAQARPQGARAIWRALCHAFGRRLILSSTFR
ILADLLGFAGPLCIFGIVDHLGKKTQFLGVYFVSSQEFLGNAYVLAVLLF
LALLLQRTFLQASYYVAIETGINLRGAIQTKIYNKIMHLSTSNLSMGEMT
AGQICNLVAIDTNQLMWFFFLCPNLWAMPVQIIVGVILLYYILGVSALIG
AAVIILLAPVQYFVATKLSQAQRSTLEHSNERLKQTNEMLRGMKLLKLYA
WESIFCSRVEVTRRKEMTSLRAFAVYTSISIFMNTAIPIAAVLITFVGHV
SFFKESDLSPSVAFASLSLFHILVTPLFLLSSVVRSTVKALVSVQKLSEF
LSSAEIREDNFCVQIIGGFFTWTPDGIPTLSNITIRIPRGQLTMIVGQVG
CGKSSLLLATLGEMQKVSGAVFWNSSRGPVAYASQKPWLLNATVEENITF
ESPFNKQRYKMVIEACSLQPDIDILPHGDQTQIGERGINLSGGQRQRISV
ARALYQQTNVVFLDDPFSALDVHLSDHLMQAGILELLRDDKRTVVLVTHK
LQYLPHADWIIAMKDGTIQREGTLKDFQRSECQLFEHWKTLMNELEKERA
CTKYLSSAGILLLSLLVFSQLLKHMVLVAIDYWLAKWTDSDQSVYAMVFT
LLCSLGIVLCLVTSVTVEWTGLKVAKRLHRSLLNRIILAPMRFFETTPLG
SILNRFSSDCNTIDQHIPSTLECLSRSTLLCVSALTVISYVTPVFLVALL
PLAVVCYFIQKYFRVASRDLQQLDDTTQLPLLSHFAETVEGLTTIRAFRY
EARFQQKLLEYTDSNNIASLFLTAANRWLEVRMEYIGACVVLIAAATSIS
NSLHRELSAGLVGLGLTYALMVSNYLNWMVRNLADMEIQLGAVKRIHALL
KTEAESYEGLLAPSLIPKNWPDQGKIQIQNLSVRYDSSLKPVLKHVNALI
SPGQKIGICGRTGSGKSSFSLAFFRMVDMFEGRIIIDGIDIAKLPLHTLR
SRLSIILQDPVLFSGTIRFNLDPEKKCSDSTLWEALEIAQLKLVVKALPG
GLDAIITEGGENFSQGQRQLFCLARAFVRKTSIFIMDEATASIDMATENI
LQKVVMTAFADRTVVTIAHRVHTILSADLVMVLKRGAILEFDKPETLLSQ
KDSVFASFVRA
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 chain7w4o Chain D Residue 1605 [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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PDB7w4o Structural insights into the mechanism of pancreatic K ATP channel regulation by nucleotides.
Resolution2.96 Å
Binding residue
(original residue number in PDB)		S408 W688 V715 G716 G718 K719 S720 S721 Q775 H889 E1480 N1481 S1483 G1485
Binding residue
(residue number reindexed from 1)		S395 W622 V649 G650 G652 K653 S654 S655 Q685 H799 E1311 N1312 S1314 G1316
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:0019829 ATPase-coupled monoatomic cation transmembrane transporter activity
GO:0042626 ATPase-coupled transmembrane transporter activity
GO:0043531 ADP binding
GO:0044325 transmembrane transporter binding
GO:0140359 ABC-type transporter activity
Biological Process
GO:0001508 action potential
GO:0006813 potassium ion transport
GO:0031669 cellular response to nutrient levels
GO:0035774 positive regulation of insulin secretion involved in cellular response to glucose stimulus
GO:0046676 negative regulation of insulin secretion
GO:0050905 neuromuscular process
GO:0055085 transmembrane transport
GO:0061535 glutamate secretion, neurotransmission
GO:0071805 potassium ion transmembrane transport
GO:0098655 monoatomic cation transmembrane transport
GO:0098662 inorganic cation transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0008282 inward rectifying potassium channel
GO:0016020 membrane
GO:0032991 protein-containing complex
GO:0098793 presynapse

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7w4o, PDBe:7w4o, PDBj:7w4o
PDBsum7w4o
PubMed35589716
UniProtA0A1U7R319

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