Structure of PDB 7u1q Chain A Binding Site BS05

Receptor Information
>7u1q Chain A (length=361) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLSRKGIIPEEYVLTRLAEDPTEPRYRTRERRARFVSKKGNCNVAHKNIR
EQGRFLQDVFTTLVDLKWPHTLLIFTMSFLCSWLLFAMVWWLIAFAHGDL
APGEGTNVPCVTSIHSFSSAFLFSIEVQVTIGFGGRMVTEECPLAILILI
VQNIVGLMINAIMLGCIFMKTAQAHRRAETLIFSKHAVITLRHGRLCFML
RVGDLRKSMIISATIHMQVVRKTTSPEGEVVPLHQVDIPMENGVGGNSIF
LVAPLIIYHVIDSNSPLYDLAPSDLHHHQDLEIIVILEGVVETTGITTQA
RTSYLADEILWGQRFVPIVAEEDGRYSVDYSKFGNTVKVPTPLCTARQLD
EDRSLLDALTL
Ligand information
Ligand IDBJX
InChIInChI=1S/C27H36N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32)/t23-/m0/s1
InChIKeyFAEKWTJYAYMJKF-QHCPKHFHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCOc1cc(ccc1C(=O)O)CC(=O)N[C@@H](CC(C)C)c2ccccc2N3CCCCC3
ACDLabs 12.01C(CC(c1ccccc1N2CCCCC2)NC(Cc3ccc(c(c3)OCC)C(=O)O)=O)(C)C
OpenEye OEToolkits 2.0.6CCOc1cc(ccc1C(=O)O)CC(=O)NC(CC(C)C)c2ccccc2N3CCCCC3
CACTVS 3.385CCOc1cc(CC(=O)N[CH](CC(C)C)c2ccccc2N3CCCCC3)ccc1C(O)=O
CACTVS 3.385CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N3CCCCC3)ccc1C(O)=O
FormulaC27 H36 N2 O4
NameRepaglinide;
2-ethoxy-4-[2-({(1S)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl}amino)-2-oxoethyl]benzoic acid
ChEMBLCHEMBL1272
DrugBankDB00912
ZINCZINC000003798537
PDB chain7u1q Chain E Residue 1603 [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)		M1 S3
Binding residue
(residue number reindexed from 1)		M1 S3
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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