Structure of PDB 2r4v Chain A Binding Site BS01

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 248 [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)		E25 I27 F37 W41 H227
Binding residue
(residue number reindexed from 1)		E16 I18 F28 W32 H208
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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