Structure of PDB 2yan Chain B Binding Site BS01

Receptor Information
>2yan Chain B (length=105) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMAPKLEERLKVLTNKASVMLFMKGNKQEAKCGFSKQILEILNSTGVEYE
TFDILEDEEVRQGLKAYSNWPTYPQLYVKGELVGGLDIVKELKENGELLP
ILRGE
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 chain2yan Chain B Residue 1338 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2yan Crystal Structure of the Second Glutaredoxin Domain of Human Txnl2
Resolution1.9 Å
Binding residue
(original residue number in PDB)		K253 K260 C261 F263 R290
Binding residue
(residue number reindexed from 1)		K24 K31 C32 F34 R61
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015036 disulfide oxidoreductase activity

View graph for
Molecular Function
External links
PDB RCSB:2yan, PDBe:2yan, PDBj:2yan
PDBsum2yan
PubMed
UniProtO76003|GLRX3_HUMAN Glutaredoxin-3 (Gene Name=GLRX3)

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