Structure of PDB 7u1q Chain C Binding Site BS02

Receptor Information
>7u1q Chain C (length=332) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ERRARFVSKKGNCNVAHKNIREQGRFLQDVFTTLVDLKWPHTLLIFTMSF
LCSWLLFAMVWWLIAFAHGDLAPGEGTNVPCVTSIHSFSSAFLFSIEVQV
TIGFGGRMVTEECPLAILILIVQNIVGLMINAIMLGCIFMKTAQAHRRAE
TLIFSKHAVITLRHGRLCFMLRVGDLRKSMIISATIHMQVVRKTTSPEGE
VVPLHQVDIPMENGVGGNSIFLVAPLIIYHVIDSNSPLYDLAPSDLHHHQ
DLEIIVILEGVVETTGITTQARTSYLADEILWGQRFVPIVAEEDGRYSVD
YSKFGNTVKVPTPLCTARQLDEDRSLLDALTL
Ligand information
Ligand IDP5S
InChIInChI=1S/C42H82NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39H,3-37,43H2,1-2H3,(H,46,47)(H,48,49)/t38-,39+/m1/s1
InChIKeyTZCPCKNHXULUIY-RGULYWFUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCCCC
CACTVS 3.370CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCCCC
ACDLabs 12.01O=C(OC(COP(=O)(OCC(C(=O)O)N)O)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCCCCCCCCCCCCCC
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCCCCCC
FormulaC42 H82 N O10 P
NameO-[(R)-{[(2R)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine;
phosphatidyl serine
ChEMBLCHEMBL4297669
DrugBankDB00144
ZINCZINC000085588270
PDB chain7u1q Chain C Residue 402 [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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PDB7u1q Ligand-mediated Structural Dynamics of a Mammalian Pancreatic K ATP Channel.
Resolution3.9 Å
Binding residue
(original residue number in PDB)		W68 H70
Binding residue
(residue number reindexed from 1)		W39 H41
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005242 inward rectifier potassium channel activity
GO:0005249 voltage-gated potassium channel activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0015272 ATP-activated inward rectifier potassium channel activity
GO:0019829 ATPase-coupled monoatomic cation transmembrane transporter activity
GO:0030506 ankyrin binding
GO:0031072 heat shock protein binding
GO:0044325 transmembrane transporter binding
GO:0099508 voltage-gated monoatomic ion channel activity involved in regulation of presynaptic membrane potential
Biological Process
GO:0001508 action potential
GO:0001666 response to hypoxia
GO:0002931 response to ischemia
GO:0003229 ventricular cardiac muscle tissue development
GO:0006006 glucose metabolic process
GO:0006813 potassium ion transport
GO:0006915 apoptotic process
GO:0006950 response to stress
GO:0008340 determination of adult lifespan
GO:0009410 response to xenobiotic stimulus
GO:0031669 cellular response to nutrient levels
GO:0032355 response to estradiol
GO:0033198 response to ATP
GO:0033574 response to testosterone
GO:0034220 monoatomic ion transmembrane transport
GO:0034765 regulation of monoatomic ion transmembrane transport
GO:0042391 regulation of membrane potential
GO:0046676 negative regulation of insulin secretion
GO:0050796 regulation of insulin secretion
GO:0050877 nervous system process
GO:0061762 CAMKK-AMPK signaling cascade
GO:0071316 cellular response to nicotine
GO:0071333 cellular response to glucose stimulus
GO:0071356 cellular response to tumor necrosis factor
GO:0071805 potassium ion transmembrane transport
GO:0098662 inorganic cation transmembrane transport
GO:0099505 regulation of presynaptic membrane potential
GO:1903078 positive regulation of protein localization to plasma membrane
GO:1904638 response to resveratrol
GO:1990573 potassium ion import across plasma membrane
Cellular Component
GO:0001669 acrosomal vesicle
GO:0005635 nuclear envelope
GO:0005737 cytoplasm
GO:0005768 endosome
GO:0005886 plasma membrane
GO:0008282 inward rectifying potassium channel
GO:0014704 intercalated disc
GO:0016020 membrane
GO:0030315 T-tubule
GO:0030673 axolemma
GO:0034702 monoatomic ion channel complex
GO:0042383 sarcolemma
GO:0042734 presynaptic membrane
GO:0043025 neuronal cell body
GO:0070852 cell body fiber
GO:0098978 glutamatergic synapse

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7u1q, PDBe:7u1q, PDBj:7u1q
PDBsum7u1q
PubMed35964676
UniProtP70673|KCJ11_RAT ATP-sensitive inward rectifier potassium channel 11 (Gene Name=Kcnj11)

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