Structure of PDB 6c3o Chain F Binding Site BS01

Receptor Information
>6c3o Chain F (length=1290) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLAFCGSENHSAAYRVDQGVLNNGCFVDALNVVPHVFLLFITFPILFIGW
GFPGHNLRWILTFMLLFVLVCEIAEGILSDGVTESHHLHLYMPAGMAFMA
AVTSVVYYHNIETSNFPKLLIALLVYWTLAFITKTIKFVKFLDHAIGFSQ
LRFCLTGLLVILYGMLLLVEVNVIRVNYQRLCEAFDAQVRKDAIWQALSH
AFGRRLVLSSTFRILADLLGFAGPLCIFGIVDHLGKANAYVLAVLLFLAL
LLQRTFLQASYYVAIETGINLRGAIQTKIYNKIMHLSTSNLSMGEMTAGQ
ICNLVAIDTNQLMWFFFLCPNLWAMPVQIIVGVILLYYILGVSALIGAAV
IILLAPVQYFVATKLSQAQRSTLEYSNERLKQTNEMLRGIKLLKLYAWEN
IFRTRVETTRRKEMTSLRAFAIYTSISIFMNTAIPIAAVLITFVGHVPSV
AFASLSLFHILVTPLFLLSSVVRSTVKALVSVQKLSEFLSSAEIRCCVQI
MGGYFTWTPDGIPTLSNITIRIPRGQLTMIVGQVGCGKSSLLLAALGEMQ
KVSGAVFWSRGPVAYASQKPWLLNATVEENIIFESPFNKQRYKMVIEACS
LQPDIDILPHGDQTQIGERGINLSGGQRQRISVARALYQHANVVFLDDPF
SALDIHLSDHLMQAGILELLRDDKRTVVLVTHKLQYLPHADWIIAMKDGT
IQREGTLKDFQRSECQLFEHWKTLEIPWRACAKYLSSAGILLLSLLVFSQ
LLKHMVLVAIDYWLAKWTDTVYAMVFTVLCSLGIVLCLVTSVTVEWTGLK
VAKRLHRSLLNRIILAPMRFFETTPLGSILNRFSSDCNTIDQHIPSTLEC
LSRSTLLCVSALAVISYVTPVFLVALLPLAIVCYFIQKYFRVASRDLQQL
DDTTQLPLLSHFAETVEGLTTIRAFRYEARFQQKLLEYTDSNNIASLFLT
AANRWLEVRMEYIGACVVLIAAVTSISNSLHRELSAGLVGLGLTYALMVS
NYLNWMVRNLADMELQLGAVKRIHGLLKTEAESYEGLLAPSLIPKNWPDQ
GKIQIQNLSVRYDSSLKPVLKHVNALIAPGQKIGICGRTGSGKSSFSLAF
FRMVDTFEGHIIIDGIDIAKLPLHTLRSRLSIILQDPVLFSGTIRFNLDP
ERKCSDSTLWEALEIAQLKLVVKALPGGLDAIITEGGENFSQGQRQLFCL
ARAFVRKTSIFIMDEATASIDMATENILQKVVMTAFADRTVVTIAHRVHT
ILSADLVIVLKRGAILEFDKPEKLLSRKDSVFASFVRADK
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 chain6c3o Chain F Residue 2001 [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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PDB6c3o Molecular structure of human KATP in complex with ATP and ADP
Resolution3.9 Å
Binding residue
(original residue number in PDB)		R1110 Y1353 G1381 S1382 G1383 K1384 S1385 S1386
Binding residue
(residue number reindexed from 1)		R819 Y1062 G1090 S1091 G1092 K1093 S1094 S1095
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:6c3o, PDBe:6c3o, PDBj:6c3o
PDBsum6c3o
PubMed29286281
UniProtQ09428|ABCC8_HUMAN ATP-binding cassette sub-family C member 8 (Gene Name=ABCC8)

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