Structure of PDB 7s5y Chain E Binding Site BS03

Receptor Information
>7s5y Chain E (length=1402) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLAFCGSENHSAAYRVDQGVLNNGCFVDALNVVPHVFLLFITFPILFIGW
GSQSSKVHIHHSTWLHFPGHNLRWILTFMLLFVLVCEIAEGILSDGVTES
HHLHLYMPAGMAFMAAVTSVVYYHNIETSNFPKLLIALLVYWTLAFITKT
IKFVKFLDHAIGFSQLRFCLTGLLVILYGMLLLVEVNVIRVRRYIEDLQD
LGVRFLQPFVNLLSKGTYWWMNAFIKTAHKKPIDLRAIGKLPIAMRALTN
YQRLCEAFDAQGARAIWQALSHAFGRRLVLSSTFRILADLLGFAGPLCIF
GIVDHLGKLGVYFVSSQEFLANAYVLAVLLFLALLLQRTFLQASYYVAIE
TGINLRGAIQTKIYNKIMHLSTSNLSMGEMTAGQICNLVAIDTNQLMWFF
FLCPNLWAMPVQIIVGVILLYYILGVSALIGAAVIILLAPVQYFVATKLS
QAQRSTLEYSNERLKQTNEMLRGIKLLKLYAWENIFRTRVETTRRKEMTS
LRAFAIYTSISIFMNTAIPIAAVLITFVGHVSFFKEADFSPSVAFASLSL
FHILVTPLFLLSSVVRSTVKALVSVQKLSEFLSSAEIREDNCCVQIMGGY
FTWTPDGIPTLSNITIRIPRGQLTMIVGQVGCGKSSLLLAALGEMQKVSG
AVFWSSKRGPVAYASQKPWLLNATVEENIIFESPFNKQRYKMVIEACSLQ
PDIDILPHGDQTQIGERGINLSGGQRQRISVARALYQHANVVFLDDPFSA
LDIHLSDHLMQAGILELLRDDKRTVVLVTHKLQYLPHADWIIAMKDGTIQ
REGTLKDFQRSECQLFEHWKTLMNRQDQELEKETPWRACAKYLSSAGILL
LSLLVFSQLLKHMVLVAIDYWLAKWTDSADQTVYAMVFTVLCSLGIVLCL
VTSVTVEWTGLKVAKRLHRSLLNRIILAPMRFFETTPLGSILNRFSSDCN
TIDQHIPSTLECLSRSTLLCVSALAVISYVTPVFLVALLPLAIVCYFIQK
YFRVASRDLQQLDDTTQLPLLSHFAETVEGLTTIRAFRYEARFQQKLLEY
TDSNNIASLFLTAANRWLEVRMEYIGACVVLIAAVTSISNSLHRELSAGL
VGLGLTYALMVSNYLNWMVRNLADMELQLGAVKRIHGLLKTEAESYEGLL
APSLIPKNWPDQGKIQIQNLSVRYDSSLKPVLKHVNALIAPGQKIGICGR
TGSGKSSFSLAFFRMVDTFEGHIIIDGIDIAKLPLHTLRSRLSIILQDPV
LFSGTIRFNLDPERKCSDSTLWEALEIAQLKLVVKALPGGLDAIITEGGE
NFSQGQRQLFCLARAFVRKTSIFIMDEATASIDMATENILQKVVMTAFAD
RTVVTIAHRVHTILSADLVIVLKRGAILEFDKPEKLLSRKDSVFASFVRA
DK
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 chain7s5y Chain E Residue 1604 [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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PDB7s5y Molecular structure of an open human K ATP channel.
Resolution3.9 Å
Binding residue
(original residue number in PDB)		W689 G717 C718 G719 K720 S721 S722 Q775 E1480 N1481 S1483 Q1486
Binding residue
(residue number reindexed from 1)		W603 G631 C632 G633 K634 S635 S636 Q666 E1300 N1301 S1303 Q1306
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:0015272 ATP-activated inward rectifier potassium channel 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:0001678 intracellular glucose homeostasis
GO:0006813 potassium ion transport
GO:0007565 female pregnancy
GO:0007613 memory
GO:0008542 visual learning
GO:0009268 response to pH
GO:0009410 response to xenobiotic stimulus
GO:0010043 response to zinc ion
GO:0010989 negative regulation of low-density lipoprotein particle clearance
GO:0016525 negative regulation of angiogenesis
GO:0031669 cellular response to nutrient levels
GO:0032496 response to lipopolysaccharide
GO:0032760 positive regulation of tumor necrosis factor production
GO:0032868 response to insulin
GO:0035774 positive regulation of insulin secretion involved in cellular response to glucose stimulus
GO:0043268 positive regulation of potassium ion transport
GO:0046676 negative regulation of insulin secretion
GO:0050768 negative regulation of neurogenesis
GO:0050905 neuromuscular process
GO:0055085 transmembrane transport
GO:0060253 negative regulation of glial cell proliferation
GO:0061535 glutamate secretion, neurotransmission
GO:0061855 negative regulation of neuroblast migration
GO:0071805 potassium ion transmembrane transport
GO:0098662 inorganic cation transmembrane transport
GO:1900721 positive regulation of uterine smooth muscle relaxation
GO:1905075 positive regulation of tight junction disassembly
GO:1905604 negative regulation of blood-brain barrier permeability
GO:1990573 potassium ion import across plasma membrane
Cellular Component
GO:0005886 plasma membrane
GO:0008282 inward rectifying potassium channel
GO:0016020 membrane
GO:0030672 synaptic vesicle membrane
GO:0031004 potassium ion-transporting ATPase complex
GO:0032991 protein-containing complex
GO:0042383 sarcolemma
GO:0042734 presynaptic membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7s5y, PDBe:7s5y, PDBj:7s5y
PDBsum7s5y
PubMed34815345
UniProtQ09428|ABCC8_HUMAN ATP-binding cassette sub-family C member 8 (Gene Name=ABCC8)

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