Structure of PDB 2kug Chain A Binding Site BS03

Receptor Information
>2kug Chain A (length=76) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADQLTEEQIAEFKEAFSLFDKDGDGTITTKELGTVMRSLGQNPTEAELQD
MINEVDADGNGTIDFPEFLTMMARKM
Ligand information
Ligand IDHLT
InChIInChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H/t1-/m0/s1
InChIKeyBCQZXOMGPXTTIC-SFOWXEAESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[C@@H](C(F)(F)F)(Cl)Br
OpenEye OEToolkits 1.5.0C(C(F)(F)F)(Cl)Br
ACDLabs 10.04BrC(Cl)C(F)(F)F
CACTVS 3.341FC(F)(F)[C@H](Cl)Br
CACTVS 3.341FC(F)(F)[CH](Cl)Br
FormulaC2 H Br Cl F3
Name2-BROMO-2-CHLORO-1,1,1-TRIFLUOROETHANE
ChEMBL
DrugBank
ZINCZINC000008220828
PDB chain2kug Chain A Residue 149 [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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PDB2kug Halothane binds to druggable sites in the [Ca2+]4-calmodulin (CaM) complex, but does not inhibit [Ca2+]4-CaM activation of kinase.
ResolutionN/A
Binding residue
(original residue number in PDB)		M36 M71
Binding residue
(residue number reindexed from 1)		M36 M71
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0005515 protein binding
GO:0010856 adenylate cyclase activator activity
GO:0019855 calcium channel inhibitor activity
GO:0019901 protein kinase binding
GO:0031432 titin binding
GO:0043539 protein serine/threonine kinase activator activity
GO:0044325 transmembrane transporter binding
GO:0046872 metal ion binding
GO:0048306 calcium-dependent protein binding
GO:0072542 protein phosphatase activator activity
Biological Process
GO:0000086 G2/M transition of mitotic cell cycle
GO:0002027 regulation of heart rate
GO:0005513 detection of calcium ion
GO:0007186 G protein-coupled receptor signaling pathway
GO:0010800 positive regulation of peptidyl-threonine phosphorylation
GO:0010801 negative regulation of peptidyl-threonine phosphorylation
GO:0010880 regulation of release of sequestered calcium ion into cytosol by sarcoplasmic reticulum
GO:0010881 regulation of cardiac muscle contraction by regulation of the release of sequestered calcium ion
GO:0016240 autophagosome membrane docking
GO:0021762 substantia nigra development
GO:0031954 positive regulation of protein autophosphorylation
GO:0032465 regulation of cytokinesis
GO:0035458 cellular response to interferon-beta
GO:0046427 positive regulation of receptor signaling pathway via JAK-STAT
GO:0050848 regulation of calcium-mediated signaling
GO:0051343 positive regulation of cyclic-nucleotide phosphodiesterase activity
GO:0051592 response to calcium ion
GO:0055117 regulation of cardiac muscle contraction
GO:0060314 regulation of ryanodine-sensitive calcium-release channel activity
GO:0060315 negative regulation of ryanodine-sensitive calcium-release channel activity
GO:0060316 positive regulation of ryanodine-sensitive calcium-release channel activity
GO:0071346 cellular response to type II interferon
GO:0071902 positive regulation of protein serine/threonine kinase activity
GO:0098901 regulation of cardiac muscle cell action potential
GO:0140056 organelle localization by membrane tethering
GO:0140238 presynaptic endocytosis
GO:1901020 negative regulation of calcium ion transmembrane transporter activity
GO:1901842 negative regulation of high voltage-gated calcium channel activity
GO:1901844 regulation of cell communication by electrical coupling involved in cardiac conduction
GO:1905913 negative regulation of calcium ion export across plasma membrane
GO:1990456 mitochondrion-endoplasmic reticulum membrane tethering
Cellular Component
GO:0000922 spindle pole
GO:0005576 extracellular region
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005813 centrosome
GO:0005819 spindle
GO:0005829 cytosol
GO:0005856 cytoskeleton
GO:0005876 spindle microtubule
GO:0005886 plasma membrane
GO:0008076 voltage-gated potassium channel complex
GO:0016020 membrane
GO:0030017 sarcomere
GO:0031514 motile cilium
GO:0031982 vesicle
GO:0032991 protein-containing complex
GO:0034704 calcium channel complex
GO:0043209 myelin sheath
GO:0044305 calyx of Held
GO:0097225 sperm midpiece
GO:0099523 presynaptic cytosol
GO:1902494 catalytic complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2kug, PDBe:2kug, PDBj:2kug
PDBsum2kug
PubMed
UniProtP0DP23|CALM1_HUMAN Calmodulin-1 (Gene Name=CALM1)

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