Structure of PDB 2e7p Chain B Binding Site BS01

Receptor Information
>2e7p Chain B (length=111) Species: 47664 (Populus tremula x Populus tremuloides) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KQELDAALKKAKELASSAPVVVFSKTYCGYCNRVKQLLTQVGASYKVVEL
DELSDGSQLQSALAHWTGRGTVPNVFIGGKQIGGCDTVVEKHQRNELLPL
LQDAAATAKTS
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 chain2e7p Chain B Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2e7p Functional, structural, and spectroscopic characterization of a glutathione-ligated [2Fe-2S] cluster in poplar glutaredoxin C1
Resolution2.1 Å
Binding residue
(original residue number in PDB)		K27 C30 Y32 Q62 T73 V74 G86 C87 D88
Binding residue
(residue number reindexed from 1)		K25 C28 Y30 Q60 T71 V72 G84 C85 D86
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015038 glutathione disulfide oxidoreductase activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
GO:0051537 2 iron, 2 sulfur cluster binding
Biological Process
GO:0034599 cellular response to oxidative stress
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2e7p, PDBe:2e7p, PDBj:2e7p
PDBsum2e7p
PubMed17460036
UniProtQ5PSJ1

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