Structure of PDB 1k0b Chain A Binding Site BS01

Receptor Information
>1k0b Chain A (length=223) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EQPLEGYTLFSHRSAPNGFKVAIVLSELGFHYNTIFLDFNLGEHRAPEFV
SVNPNARVPALIDHGMDNLSIWESGAILLHLVNKYYKETGNPLLWSDDLA
DQSQINAWLFFQTSGHAPMIGQALHFRYFHSQKIASAVERYTDEVRRVYG
VVEMALAERREALVMELDYPVWLVGDKLTIADLAFVPWNNVVDRIGINIK
IEFPEVYKWTKHMMRRPAVIKAL
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 chain1k0b Chain A Residue 355 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1k0b Crystal structures of the yeast prion Ure2p functional region in complex with glutathione and related compounds.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		A122 F146 H151 R164 V165 E180 S181
Binding residue
(residue number reindexed from 1)		A15 F39 H44 R57 V58 E73 S74
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) A122
Catalytic site (residue number reindexed from 1) A15
Enzyme Commision number 1.11.1.9: glutathione peroxidase.
1.8.4.-
Gene Ontology
Molecular Function
GO:0003714 transcription corepressor activity
Biological Process
GO:0006808 regulation of nitrogen utilization

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1k0b, PDBe:1k0b, PDBj:1k0b
PDBsum1k0b
PubMed11695904
UniProtP23202|URE2_YEAST Transcriptional regulator URE2 (Gene Name=URE2)

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