Structure of PDB 2wci Chain A Binding Site BS02

Receptor Information
>2wci Chain A (length=113) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSTTIEKIQRQIAENPILLYMKGSPKLPSCGFSAQAVQALAACGERFAYV
DILQNPDIRAELPKYANWPTFPQLWVDGELVGGCDIVIEMYQRGELQQLI
KETAAKYKSEEPD
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 chain2wci Chain A Residue 1115 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2wci Structural Basis for Delivery of the Intact [Fe2S2] Cluster by Monothiol Glutaredoxin.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		K22 F32 R59 T70 F71 G83 C84 D85
Binding residue
(residue number reindexed from 1)		K22 F32 R59 T70 F71 G83 C84 D85
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0015036 disulfide oxidoreductase activity
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
GO:0051537 2 iron, 2 sulfur cluster binding
Biological Process
GO:0006879 intracellular iron ion homeostasis
GO:0016226 iron-sulfur cluster assembly
GO:0045454 cell redox homeostasis
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:1990229 iron-sulfur cluster assembly complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2wci, PDBe:2wci, PDBj:2wci
PDBsum2wci
PubMed19505088
UniProtP0AC69|GLRX4_ECOLI Glutaredoxin 4 (Gene Name=grxD)

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