Structure of PDB 7w4p Chain B Binding Site BS01

Receptor Information
>7w4p Chain B (length=1401) Species: 10036 (Mesocricetus auratus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLAFCGTENHSAAYRVDQGVLNNGCFVDALNVVPHVFLLFITFPILFIGH
HSTWLHFPGHNLRWILTFILLFVLVCEIAEGILSDGVTESRHLHLYMPAG
MAFMAAITSVVYYHNIETSNFPKLLIALLIYWTLAFITKTIKFVKFYDHA
IGFSQLRFCLTGLLVILYGMLLLVEVNVIRVRRYIFFKTPREVKPPEDLQ
DLGVRFLQPFVNLLSKGTYWWMNAFIKTAHKKPIDLRAIGKLPIAMRALT
NYQRLCVAFDAQARPQGARAIWRALCHAFGRRLILSSTFRILADLLGFAG
PLCIFGIVDHLGKKTQFLGVYFVSSQEFLGNAYVLAVLLFLALLLQRTFL
QASYYVAIETGINLRGAIQTKIYNKIMHLSTSNLSMGEMTAGQICNLVAI
DTNQLMWFFFLCPNLWAMPVQIIVGVILLYYILGVSALIGAAVIILLAPV
QYFVATKLSQAQRSTLEHSNERLKQTNEMLRGMKLLKLYAWESIFCSRVE
VTRRKEMTSLRAFAVYTSISIFMNTAIPIAAVLITFVGHVSFFKESDLSP
SVAFASLSLFHILVTPLFLLSSVVRSTVKALVSVQKLSEFLSSAEIREDN
FCVQIIGGFFTWTPDGIPTLSNITIRIPRGQLTMIVGQVGCGKSSLLLAT
LGEMQKVSGAVFWNSSRGPVAYASQKPWLLNATVEENITFESPFNKQRYK
MVIEACSLQPDIDILPHGDQTQIGERGINLSGGQRQRISVARALYQQTNV
VFLDDPFSALDVHLSDHLMQAGILELLRDDKRTVVLVTHKLQYLPHADWI
IAMKDGTIQREGTLKDFQRSECQLFEHWKTLMNELEKERACTKYLSSAGI
LLLSLLVFSQLLKHMVLVAIDYWLAKWTDSDQSVYAMVFTLLCSLGIVLC
LVTSVTVEWTGLKVAKRLHRSLLNRIILAPMRFFETTPLGSILNRFSSDC
NTIDQHIPSTLECLSRSTLLCVSALTVISYVTPVFLVALLPLAVVCYFIQ
KYFRVASRDLQQLDDTTQLPLLSHFAETVEGLTTIRAFRYEARFQQKLLE
YTDSNNIASLFLTAANRWLEVRMEYIGACVVLIAAATSISNSLHRELSAG
LVGLGLTYALMVSNYLNWMVRNLADMEIQLGAVKRIHALLKTEAESYEGL
LAPSLIPKNWPDQGKIQIQNLSVRYDSSLKPVLKHVNALISPGQKIGICG
RTGSGKSSFSLAFFRMVDMFEGRIIIDGIDIAKLPLHTLRSRLSIILQDP
VLFSGTIRFNLDPEKKCSDSTLWEALEIAQLKLVVKALPGGLDAIITEGG
ENFSQGQRQLFCLARAFVRKTSIFIMDEATASIDMATENILQKVVMTAFA
DRTVVTIAHRVHTILSADLVMVLKRGAILEFDKPETLLSQKDSVFASFVR
A
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=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)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain7w4p Chain B 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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PDB7w4p Structural insights into the mechanism of pancreatic K ATP channel regulation by nucleotides.
Resolution3.19 Å
Binding residue
(original residue number in PDB)		R1111 E1114 Y1354 V1361 T1381 G1382 G1384 K1385 S1386 S1387
Binding residue
(residue number reindexed from 1)		R932 E935 Y1175 V1182 T1202 G1203 G1205 K1206 S1207 S1208
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:7w4p, PDBe:7w4p, PDBj:7w4p
PDBsum7w4p
PubMed35589716
UniProtA0A1U7R319

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