Structure of PDB 6c3p Chain F Binding Site BS01
Receptor Information
>6c3p Chain F (length=1359) Species:
9606
(Homo sapiens) [
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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 ID
ADP
InChI
InChI=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
InChIKey
XTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
c1nc(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 3.341
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04
O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
Formula
C10 H15 N5 O10 P2
Name
ADENOSINE-5'-DIPHOSPHATE
ChEMBL
CHEMBL14830
DrugBank
DB16833
ZINC
ZINC000012360703
PDB chain
6c3p Chain F Residue 2001 [
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Receptor-Ligand Complex Structure
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PDB
6c3p
Molecular structure of human KATP in complex with ATP and ADP.
Resolution
5.6 Å
Binding residue
(original residue number in PDB)
Y1353 V1360 T1380 G1381 S1382 G1383 K1384 S1385 S1386
Binding residue
(residue number reindexed from 1)
Y1131 V1138 T1158 G1159 S1160 G1161 K1162 S1163 S1164
Annotation score
1
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
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:6c3p
,
PDBe:6c3p
,
PDBj:6c3p
PDBsum
6c3p
PubMed
29286281
UniProt
Q09428
|ABCC8_HUMAN ATP-binding cassette sub-family C member 8 (Gene Name=ABCC8)
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