Structure of PDB 7s5x Chain E Binding Site BS01

Receptor Information
>7s5x Chain E (length=1412) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MGPLAFCGSENHSAAYRVDQGVLNNGCFVDALNVVPHVFLLFITFPILFI
GWGSQSSKVHIHHSTWLHFPGHNLRWILTFMLLFVLVCEIAEGILSDGVT
ESHHLHLYMPAGMAFMAAVTSVVYYHNIETSNFPKLLIALLVYWTLAFIT
KTIKFVKFLDHAIGFSQLRFCLTGLLVILYGMLLLVEVNVIRVRRYIFFK
TPREVKPPEDLQDLGVRFLQPFVNLLSKGTYWWMNAFIKTAHKKPIDLRA
IGKLPIAMRALTNYQRLCEAFDAQVGARAIWQALSHAFGRRLVLSSTFRI
LADLLGFAGPLCIFGIVDHLGKLGVYFVSSQEFLANAYVLAVLLFLALLL
QRTFLQASYYVAIETGINLRGAIQTKIYNKIMHLSTSNLSMGEMTAGQIC
NLVAIDTNQLMWFFFLCPNLWAMPVQIIVGVILLYYILGVSALIGAAVII
LLAPVQYFVATKLSQAQRSTLEYSNERLKQTNEMLRGIKLLKLYAWENIF
RTRVETTRRKEMTSLRAFAIYTSISIFMNTAIPIAAVLITFVGHVSFFKE
ADFSPSVAFASLSLFHILVTPLFLLSSVVRSTVKALVSVQKLSEFLSSAE
IRDNCCVQIMGGYFTWTPDGIPTLSNITIRIPRGQLTMIVGQVGCGKSSL
LLAALGEMQKVSGAVFWSRGPVAYASQKPWLLNATVEENIIFESPFNKQR
YKMVIEACSLQPDIDILPHGDQTQIGERGINLSGGQRQRISVARALYQHA
NVVFLDDPFSALDIHLSDHLMQAGILELLRDDKRTVVLVTHKLQYLPHAD
WIIAMKDGTIQREGTLKDFQRSECQLFEHWKTLMNRQDQELEKEPWRACA
KYLSSAGILLLSLLVFSQLLKHMVLVAIDYWLAKWTDSADQTVYAMVFTV
LCSLGIVLCLVTSVTVEWTGLKVAKRLHRSLLNRIILAPMRFFETTPLGS
ILNRFSSDCNTIDQHIPSTLECLSRSTLLCVSALAVISYVTPVFLVALLP
LAIVCYFIQKYFRVASRDLQQLDDTTQLPLLSHFAETVEGLTTIRAFRYE
ARFQQKLLEYTDSNNIASLFLTAANRWLEVRMEYIGACVVLIAAVTSISN
SLHRELSAGLVGLGLTYALMVSNYLNWMVRNLADMELQLGAVKRIHGLLK
TEAESYEGLLAPSLIPKNWPDQGKIQIQNLSVRYDSSLKPVLKHVNALIA
PGQKIGICGRTGSGKSSFSLAFFRMVDTFEGHIIIDGIDIAKLPLHTLRS
RLSIILQDPVLFSGTIRFNLDPERKCSDSTLWEALEIAQLKLVVKALPGG
LDAIITEGGENFSQGQRQLFCLARAFVRKTSIFIMDEATASIDMATENIL
QKVVMTAFADRTVVTIAHRVHTILSADLVIVLKRGAILEFDKPEKLLSRK
DSVFASFVRADK
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 chain7s5x Chain E Residue 1601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7s5x Molecular structure of an open human K ATP channel.
Resolution3.7 Å
Binding residue
(original residue number in PDB)		R1111 Y1354 V1361 T1381 G1382 S1383 G1384 K1385 S1386 S1387
Binding residue
(residue number reindexed from 1)		R941 Y1184 V1191 T1211 G1212 S1213 G1214 K1215 S1216 S1217
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:7s5x, PDBe:7s5x, PDBj:7s5x
PDBsum7s5x
PubMed34815345
UniProtQ09428|ABCC8_HUMAN ATP-binding cassette sub-family C member 8 (Gene Name=ABCC8)

[Back to BioLiP]