Structure of PDB 2per Chain A Binding Site BS01

Receptor Information
>2per Chain A (length=222) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DPEIELFVKAGSDGESIGNCPFCQRLFMILWLKGVKFNVTTVDMNPPFLV
YNKELKTDFIKIEEFLEQTLAPPRYPHLSPKYKESFDVGCNLFAKFSAYI
KNTQKEANKNFEKSLLKEFKRLDDYLNTPLLDEIDPDSAEEPPVSRRLFL
DGDQLTLADCSLLPKLNIIKVAAKKYRDFDIPAEFSGVWRYLHNAYAREE
FTHTCPEDKEIENTYANVAKQK
Ligand information
Ligand IDMNB
InChIInChI=1S/C7H5NO4S/c9-7(10)5-3-4(13)1-2-6(5)8(11)12/h1-3,13H,(H,9,10)
InChIKeyGANZODCWZFAEGN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=[N+]([O-])c1c(cc(S)cc1)C(=O)O
CACTVS 3.341OC(=O)c1cc(S)ccc1[N+]([O-])=O
OpenEye OEToolkits 1.5.0c1cc(c(cc1S)C(=O)O)[N+](=O)[O-]
FormulaC7 H5 N O4 S
Name5-MERCAPTO-2-NITRO-BENZOIC ACID
ChEMBL
DrugBankDB02763
ZINCZINC000002046780
PDB chain2per Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2per The crystal structure of human chloride intracellular channel protein 2: A disulfide bond with functional implications.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		F110 C114 S185 L186 K189
Binding residue
(residue number reindexed from 1)		F86 C90 S161 L162 K165
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004364 glutathione transferase activity
GO:0004602 glutathione peroxidase activity
GO:0005254 chloride channel activity
GO:0005515 protein binding
GO:0016491 oxidoreductase activity
Biological Process
GO:0006821 chloride transport
GO:0007165 signal transduction
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:0034220 monoatomic ion transmembrane transport
GO:0051099 positive regulation of binding
GO:0060315 negative regulation of ryanodine-sensitive calcium-release channel activity
GO:0098869 cellular oxidant detoxification
GO:1902476 chloride transmembrane transport
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0034707 chloride channel complex

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2per, PDBe:2per, PDBj:2per
PDBsum2per
PubMed18186468
UniProtO15247|CLIC2_HUMAN Chloride intracellular channel protein 2 (Gene Name=CLIC2)

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