Structure of PDB 2r4v Chain A Binding Site BS02

Receptor Information
>2r4v Chain A (length=226) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VDPEIELFVKAGSDGESIGNCPFCQRLFMILWLKGVKFNVTTVDMTPGTN
PPFLVYNKELKTDFIKIEEFLEQTLAPPRYPHLSPKYKESFDVGCNLFAK
FSAYIKNTQKEANKNFEKSLLKEFKRLDDYLNTPLLDEIDPDSAEEPPVS
RRLFLDGDQLTLADCSLLPKLNIIKVAAKKYRDFDIPAEFSGVWRYLHNA
YAREEFTHTCPEDKEIENTYANVAKQ
Ligand information
Ligand IDGSH
InChIInChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
InChIKeyRWSXRVCMGQZWBV-WDSKDSINSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CS
OpenEye OEToolkits 1.7.6C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370N[CH](CCC(=O)N[CH](CS)C(=O)NCC(O)=O)C(O)=O
CACTVS 3.370N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N
FormulaC10 H17 N3 O6 S
NameGLUTATHIONE
ChEMBLCHEMBL1543
DrugBankDB00143
ZINCZINC000003830891
PDB chain2r4v Chain A Residue 249 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2r4v Structure of the Janus Protein Human CLIC2
Resolution1.85 Å
Binding residue
(original residue number in PDB)		A131 N134 F135
Binding residue
(residue number reindexed from 1)		A112 N115 F116
Annotation score4
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
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Cellular Component
External links
PDB RCSB:2r4v, PDBe:2r4v, PDBj:2r4v
PDBsum2r4v
PubMed17945253
UniProtO15247|CLIC2_HUMAN Chloride intracellular channel protein 2 (Gene Name=CLIC2)

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