Structure of PDB 6c3p Chain F Binding Site BS03

Receptor Information
>6c3p Chain F (length=1359) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLAFCGSENHSAAYRVDQGVLNNGCFVDALNVVPHVFLLFITFPILFIGW
GFPGHNLRWILTFMLLFVLVCEIAEGILSDGVTESHHLHLYMPAGMAFMA
AVTSVVYYHNIETSNFPKLLIALLVYWTLAFITKTIKFVKFLDHAIGFSQ
LRFCLTGLLVILYGMLLLVEVNVIRVRRYIFFKTPREVKPPEDLQDLGVR
FLQPFVNLLSKGTYWWMNAFIKTAHKKPIDLRAIGKLPIAMRALTNYQRL
CEAFDAQVRKDAIWQALSHAFGRRLVLSSTFRILADLLGFAGPLCIFGIV
DHLGKANAYVLAVLLFLALLLQRTFLQASYYVAIETGINLRGAIQTKIYN
KIMHLSTSNLSMGEMTAGQICNLVAIDTNQLMWFFFLCPNLWAMPVQIIV
GVILLYYILGVSALIGAAVIILLAPVQYFVATKLSQAQRSTLEYSNERLK
QTNEMLRGIKLLKLYAWENIFRTRVETTRRKEMTSLRAFAIYTSISIFMN
TAIPIAAVLITFVGHVPSVAFASLSLFHILVTPLFLLSSVVRSTVKALVS
VQKLSEFLSSAEIRCCVQIMGGYFTWTPDGIPTLSNITIRIPRGQLTMIV
GQVGCGKSSLLLAALGEMQKVSGAVFWSRGPVAYASQKPWLLNATVEENI
IFESPFNKQRYKMVIEACSLQPDIDILPHGDQTQIGERGINLSGGQRQRI
SVARALYQHANVVFLDDPFSALDIHLSDHLMQAGILELLRDDKRTVVLVT
HKLQYLPHADWIIAMKDGTIQREGTLKDFQRSECQLFEHWKTLEIPWRAC
AKYLSSAGILLLSLLVFSQLLKHMVLVAIDYWLAKWTDTVYAMVFTVLCS
LGIVLCLVTSVTVEWTGLKVAKRLHRSLLNRIILAPMRFFETTPLGSILN
RFSSDCNTIDQHIPSTLECLSRSTLLCVSALAVISYVTPVFLVALLPLAI
VCYFIQKYFRVASRDLQQLDDTTQLPLLSHFAETVEGLTTIRAFRYEARF
QQKLLEYTDSNNIASLFLTAANRWLEVRMEYIGACVVLIAAVTSISNSLH
RELSAGLVGLGLTYALMVSNYLNWMVRNLADMELQLGAVKRIHGLLKTEA
ESYEGLLAPSLIPKNWPDQGKIQIQNLSVRYDSSLKPVLKHVNALIAPGQ
KIGICGRTGSGKSSFSLAFFRMVDTFEGHIIIDGIDIAKLPLHTLRSRLS
IILQDPVLFSGTIRFNLDPERKCSDSTLWEALEIAQLKLVVKALPGGLDA
IITEGGENFSQGQRQLFCLARAFVRKTSIFIMDEATASIDMATENILQKV
VMTAFADRTVVTIAHRVHTILSADLVIVLKRGAILEFDKPEKLLSRKDSV
FASFVRADK
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 chain6c3p Chain F Residue 2004 [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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PDB6c3p Molecular structure of human KATP in complex with ATP and ADP.
Resolution5.6 Å
Binding residue
(original residue number in PDB)		S408 M409 W688 V715 G716 G718 K719 S720 S721 Q774 E1479 N1480 S1482
Binding residue
(residue number reindexed from 1)		S361 M362 W576 V603 G604 G606 K607 S608 S609 Q637 E1257 N1258 S1260
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:6c3p, PDBe:6c3p, PDBj:6c3p
PDBsum6c3p
PubMed29286281
UniProtQ09428|ABCC8_HUMAN ATP-binding cassette sub-family C member 8 (Gene Name=ABCC8)

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