Structure of PDB 7u1s Chain E Binding Site BS04

Receptor Information

>7u1s Chain E (length=1439) Species: 10034 (Cricetus cricetus)

MPLAFCGTENHSAAYRVDQGVLNNGCFVDALNVVPHVFLLFITFPILFIG
WGSQSSKVHIHHSTWLHFPGHNLRWILTFILLFVLVCEIAEGILSDGVTE
SRHLHLYMPAGMAFMAAITSVVYYHNIETSNFPKLLIALLIYWTLAFITK
TIKFVKFYDHAIGFSQLRFCLTGLLVILYGMLLLVEVNVIRVRRYIFFKT
PREVKPPEDLQDLGVRFLQPFVNLLSKGTYWWMNAFIKTAHKKPIDLRAI
AKLPIAMRALTNYQRLCVAFDAQARKDTQSPQGARAIWRALCHAFGRRLI
LSSTFRILADLLGFAGPLCIFGIVDHLGKENHVFQPKTQFLGVYFVSSQE
FLGNAYVLAVLLFLALLLQRTFLQASYYVAIETGINLRGAIQTKIYNKIM
HMSTSNLSMGEMTAGQICNLVAIDTNQLMWFFFLCPNLWTMPVQIIVGVI
LLYYILGVSALIGAAVIILLAPVQYFVATKLSQAQRTTLEHSNERLKQTN
EMLRGMKLLKLYAWESIFCSRVEVTRRKEMTSLRAFAVYTSISIFMNTAI
PIAAVLITFVGHVSFFKESDLSPSVAFASLSLFHILVTPLFLLSSVVRST
VKALVSVQKLSEFLSSAEIREEQCAPNFCVQIIGGFFTWTPDGIPTLSNI
TIRIPRGQLTMIVGQVGCGKSSLLLATLGEMQKVSGAVFWNSNSRGPVAY
ASQKPWLLNATVEENITFESPFNKQRYKMVIEACSLQPDIDILPHGDQTQ
IGERGINLSGGQRQRISVARALYQQTNVVFLDDPFSALDVHLSDHLMQAG
ILELLRDDKRTVVLVTHKLQYLPHADWIIAMKDGTIQREGTLKDFQRSEC
QLFLSSVLHQRAKIPWRACTKYLSSAGILLLSLLVFSQLLKHMVLVAIDY
WLAKWTDSALVCSLSQECDLDQSVYAMVFTLLCSLGIVLCLVTSVTVEWT
GLKVAKRLHRSLLNRIILAPMRFFETTPLGSILNRFSSDCNTIDQHIPST
LECLSRSTLLCVSALTVISYVTPVFLVALLPLAVVCYFIQKYFRVASRDL
QQLDDTTQLPLVSHFAETVEGLTTIRAFRYEARFQQKLLEYTDSNNIASL
FLTAANRWLEVCMEYIGACVVLIAAATSISNSLHRELSAGLVGLGLTYAL
MVSNYLNWMVRNLADMEIQLGAVKRIHALLKTEAESYEGLLAPSLIPKNW
PDQGKIQIQNLSVRYDSSLKPVLKHVNTLISPGQKIGICGRTGSGKSSFS
LAFFRMVDMFEGRIIIDGIDIAKLPLHTLRSRLSIILQDPVLFSGTIRFN
LDPEKKCSDSTLWEALEIAQLKLVVKALPGGLDAIITEGGENFSQGQRQL
FCLARAFVRKTSIFIMDEATASIDMATENILQKVVMTAFADRTVVTIAHR
VHTILSADLVMVLKRGAILEFDKPETLLSQKDSVFASFV

Ligand information

• Ligand ID: ATP
• InChI: InChI=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
• InChIKey: ZKHQWZAMYRWXGA-KQYNXXCUSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=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[P](O)(O)=O)[CH](O)[CH]3O
  ACDLabs 10.04: O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
  OpenEye OEToolkits 1.5.0: c1nc(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 3.341: Nc1ncnc2n(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
• Formula: C10 H16 N5 O13 P3
• Name: ADENOSINE-5'-TRIPHOSPHATE
• ChEMBL: CHEMBL14249
• DrugBank: DB00171
• ZINC: ZINC000004261765
• PDB chain: 7u1s Chain E Residue 1610

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7u1s Ligand-mediated Structural Dynamics of a Mammalian Pancreatic K ATP Channel.
• Resolution: 3.8 Å
• Binding residue (original residue number in PDB): N406 W688 V715 G716 C717 G718 K719 S720 S721 Q775
• Binding residue (residue number reindexed from 1): N406 W639 V666 G667 C668 G669 K670 S671 S672 Q703
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0005267 potassium channel activity
• GO:0005524 ATP binding
• GO:0008281 sulfonylurea receptor activity
• GO:0016887 ATP hydrolysis activity
• GO:0042626 ATPase-coupled transmembrane transporter activity
• GO:0140359 ABC-type transporter activity

Biological Process

• GO:0006813 potassium ion transport
• GO:0055085 transmembrane transport
• GO:0071805 potassium ion transmembrane transport

Cellular Component

• GO:0005886 plasma membrane
• GO:0016020 membrane
• GO:0032991 protein-containing complex

External links

• PDB: RCSB:7u1s, PDBe:7u1s, PDBj:7u1s
• PDBsum: 7u1s
• PubMed: 35964676
• UniProt: Q09427|ABCC8_CRICR ATP-binding cassette sub-family C member 8 (Gene Name=ABCC8)