Structure of PDB 7n0l Chain B Binding Site BS01

Receptor Information
>7n0l Chain B (length=313) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LGDCLRNWEDLQQDFQGIQETHRLYRLKLEELTKLQANCTNSITRQKKRL
QELALVLKKCRPSLSMEAAQELENQMKERQGLFFDMEAYLPKKNGLYLSL
VLGNVNVTLLSKQAKFAYKDEYEKFKLYLTIILIVISFTCRFLLNSRVTD
AAFNFLLVWYYCTLTIRESILINNGSRIKGWWVFAAYVSTFLSGVMLTWP
DGLMYQKFRNQFLSFSMYQSFVQFLQYYYQSGCLYRLRAEGFQSWMWRGL
TFLLPFLFFGHFWQLFNALTLFNLARDPECKEWQVLMCGFPFLLLFLGNF
FTTLRVVHQKFHS
Ligand information
Ligand IDCOA
InChIInChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1
InChIKeyRGJOEKWQDUBAIZ-IBOSZNHHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O
CACTVS 3.341CC(C)(CO[P@@](O)(=O)O[P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[C@@H](O)C(=O)NCCC(=O)NCCS
OpenEye OEToolkits 1.5.0CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O
CACTVS 3.341CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCS
ACDLabs 10.04O=C(NCCS)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O
FormulaC21 H36 N7 O16 P3 S
NameCOENZYME A
ChEMBLCHEMBL1213327
DrugBankDB01992
ZINCZINC000008551087
PDB chain7n0l Chain B Residue 401 [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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PDB7n0l Analysis of the mechanosensor channel functionality of TACAN.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		K130 S187 R188 I189 W193 F226 Q230 Y240 Q241 L279 G282 H283 K332
Binding residue
(residue number reindexed from 1)		K119 S176 R177 I178 W182 F215 Q219 Y229 Q230 L257 G260 H261 K310
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
Biological Process
GO:0034220 monoatomic ion transmembrane transport
GO:0045444 fat cell differentiation
GO:0050966 detection of mechanical stimulus involved in sensory perception of pain
GO:0051260 protein homooligomerization
GO:0051291 protein heterooligomerization
Cellular Component
GO:0005634 nucleus
GO:0005637 nuclear inner membrane
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7n0l, PDBe:7n0l, PDBj:7n0l
PDBsum7n0l
PubMed34374644
UniProtQ8C1E7|TACAN_MOUSE Ion channel TACAN (Gene Name=Tmem120a)

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