Structure of PDB 8ta2 Chain A Binding Site BS01

Receptor Information
>8ta2 Chain A (length=460) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GEDWIFLVLLGLLMALVSWVMDYAIAACLQAQQWMSRGLNTSILLQYLAW
VTYPVVLITFSAGFTQILAPQAVGSGIPEMKTILRGVVLKEYLTLKTFIA
KVIGLTCALGSGMPLGKEGPFVHIASMCAALLSKFLSLFGGIYENESRNT
EMLAAACAVGVGCCFAAPIGGVLFSIEVTSTFFAVRNYWRGFFAATFSAF
IFRVLAVWNRALFKTRFRLDFPFDLQELPAFAVIGIASGFGGALFVYLNR
KIVQVMRKQKTINRFLMRKRLLFPALVTLLISTLTFPPGFGQFMAGQLSQ
KETLVTLFDNRTWVRQSTSQAWNPPRANVFLTLVIFILMKFWMSALATTI
PVPCGAFMPVFVIGAAFGRLVGESMAAWFPDGISTYRIVPGGYAVVGAAA
LAGAVTHTVSTAVIVFELTGQIAHILPVMIAVILANAVAQSLQPSLYDSI
IRIKKLPYLP
Ligand information
Ligand IDGH6
InChIInChI=1S/C19H14Cl2N2O3/c20-14-8-9-15(26-11-12-5-2-1-3-6-12)16(21)17(14)23-18-13(19(24)25)7-4-10-22-18/h1-10H,11H2,(H,22,23)(H,24,25)
InChIKeyAYGDOYFDJDUPSS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)COc2ccc(c(c2Cl)Nc3c(cccn3)C(=O)O)Cl
CACTVS 3.385OC(=O)c1cccnc1Nc2c(Cl)ccc(OCc3ccccc3)c2Cl
FormulaC19 H14 Cl2 N2 O3
Name2-[[2,6-bis(chloranyl)-3-phenylmethoxy-phenyl]amino]pyridine-3-carboxylic acid
ChEMBL
DrugBank
ZINC
PDB chain8ta2 Chain A Residue 601 [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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PDB8ta2 Cryo-EM structures of the human CLC-2 voltage gated chloride channel reveal a closed conformational state and pore block by an N-terminal hairpin peptide
Resolution2.74 Å
Binding residue
(original residue number in PDB)		I112 L116 K204 F306 S392 Q393 K394 M460 F463 L524
Binding residue
(residue number reindexed from 1)		I25 L29 K117 F213 S299 Q300 K301 M358 F361 L418
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005247 voltage-gated chloride channel activity
Biological Process
GO:0006821 chloride transport
GO:0055085 transmembrane transport
Cellular Component
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:8ta2, PDBe:8ta2, PDBj:8ta2
PDBsum8ta2
PubMed38345841
UniProtP51788|CLCN2_HUMAN Chloride channel protein 2 (Gene Name=CLCN2)

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