Structure of PDB 5ywc Chain F Binding Site BS01

Receptor Information
>5ywc Chain F (length=1322) Species: 10036 (Mesocricetus auratus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NGCFVDALNVVPHVFLLFITFPILFIGWGSTWLHFPGHNLRWILTFILLF
VLVCEIAEGILSDHLHLYMPAGMAFMAAITSVVYYHNIETSNFPKLLIAL
LIYWTLAFITKTIKFVKFYDHLRFCLTGLLVILYGMLLLVEVNVIRVRRY
IFFKTPREVKPPEDLQDLGVRFLQPFVNLLSKGTYWWMNAFIKTAHKKPI
DLRAIGKLPIAMRALTNYQRLCVAFDAQARKGARAIWRALCHAFGRRLIL
SSTFRILADLLGFAGPLCIFGIVDHLGKNAYVLAVLLFLALLLQRTFLQA
SYYVAIETGINLRGAIQTKIYNKIMHLSTSNLSMGEMTAGQICNLVAIDT
NQLMWFFFLCPNLWAMPVQIIVGVILLYYILGVSALIGAAVIILLAPVQY
FVATKLSQAQRSTLEHSNERLKQTNEMLRGMKLLKLYAWESIFCSRVEVT
RRKEMTSLRAFAVYTSISIFMNTAIPIAAVLITFVGHVSFFKESDLSPSV
AFASLSLFHILVTPLFLLSSVVRSTVKALVSVQKLSEFLSSAEIREECVQ
IIGGFFTWTPDGIPTLSNITIRIPRGQLTMIVGQVGCGKSSLLLATLGEM
QKVSGAVFWGPVAYASQKPWLLNATVEENITFESPFNKQRYKMVIEACSL
QPDIDILPHGDQTQIGERGINLSGGQRQRISVARALYQQTNVVFLDDPFS
ALDVHLSDHLMQAGILELLRDDKRTVVLVTHKLQYLPHADWIIAMKDGTI
QREGTLKDFQRSERACTKYLSSAGILLLSLLVFSQLLKHMVLVAIDYWLA
KWTDSDQSVYAMVFTLLCSLGIVLCLVTSVTVEWTGLKVAKRLHRSLLNR
IILAPMRFFETTPLGSILNRFSSDCNTIDQHIPSTLECLSRSTLLCVSAL
TVISYVTPVFLVALLPLAVVCYFIQKYFRVASRDLQQLDDTTQLPLLSHF
AETVEGLTTIRAFRYEARFQQKLLEYTDSNNIASLFLTAANRWLEVRMEY
IGACVVLIAAATSISNSLHRELSAGLVGLGLTYALMVSNYLNWMVRNLAD
MEIQLGAVKRIHALLKTEAESYEGPSLIPKNWPDQGKIQIQNLSVRYDSS
LKPVLKHVNALISPGQKIGICGRTGSGKSSFSLAFFRMVDMFEGRIIIDG
IDIAKLPLHTLRSRLSIILQDPVLFSGTIRFNLDPEKKCSDSTLWEALEI
AQLKLVVKALPGGLDAIITEGGENFSQGQRQLFCLARAFVRKTSIFIMDE
ATASIDMATENILQKVVMTAFADRTVVTIAHRVHTILSADLVMVLKRGAI
LEFDKPETLLSQKDSVFASFVR
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 chain5ywc Chain F Residue 2501 [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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PDB5ywc Ligand binding and conformational changes of SUR1 subunit in pancreatic ATP-sensitive potassium channels.
Resolution4.3 Å
Binding residue
(original residue number in PDB)		W688 G716 G718 K719 S720 S721 Q775 E1480 S1483
Binding residue
(residue number reindexed from 1)		W558 G586 G588 K589 S590 S591 Q617 E1223 S1226
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:5ywc, PDBe:5ywc, PDBj:5ywc
PDBsum5ywc
PubMed29594720
UniProtA0A1U7R319

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