Structure of PDB 3uiw Chain A Binding Site BS01

Receptor Information
>3uiw Chain A (length=110) Species: 7955 (Danio rerio) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PGLSSSACGQFVQDIVSSNCVVIFSKTTCPYCKMAKGVFNEIGATYKVVE
LDEHNDGRRLQETLAELTGARTVPRVFINGQCIGGGSDTKQLHQQGKLLP
LIEQCRPCCL
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 chain3uiw Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3uiw A New Mode of Iron-sulfur Cluster Coordination in Glutaredoxins is Crucial for Axonogenesis
Resolution2.601 Å
Binding residue
(original residue number in PDB)		K34 C37 Y39 Q69 T80 V81 G93 G94 S95
Binding residue
(residue number reindexed from 1)		K26 C29 Y31 Q61 T72 V73 G85 G86 S87
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015038 glutathione disulfide oxidoreductase activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051537 2 iron, 2 sulfur cluster binding
Biological Process
GO:0001755 neural crest cell migration
GO:0001944 vasculature development
GO:0003147 neural crest cell migration involved in heart formation
GO:0007417 central nervous system development
GO:0008347 glial cell migration
GO:0034599 cellular response to oxidative stress
GO:0060914 heart formation
Cellular Component
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3uiw, PDBe:3uiw, PDBj:3uiw
PDBsum3uiw
PubMed
UniProtQ6DH06

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