Structure of PDB 1k0d Chain B Binding Site BS01

Receptor Information
>1k0d Chain B (length=231) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SRITKFFQEQPLEGYTLFSHRSAPNGFKVAIVLSELGFHYNTIFLDFNLG
EHRAPEFVSVNPNARVPALIDHGMDNLSIWESGAILLHLVNKYYKETGNP
LLWSDDLADQSQINAWLFFQTSGHAPMIGQALHFRYFHSQKIASAVERYT
DEVRRVYGVVEMALAERREALVMDYPVWLVGDKLTIADLAFVPWNNVVDR
IGINIKIEFPEVYKWTKHMMRRPAVIKALRG
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 chain1k0d Chain B Residue 356 [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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PDB1k0d Crystal structures of the yeast prion Ure2p functional region in complex with glutathione and related compounds.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		A122 N124 F146 R164 V165 E180 S181
Binding residue
(residue number reindexed from 1)		A23 N25 F47 R65 V66 E81 S82
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) A122
Catalytic site (residue number reindexed from 1) A23
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

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:1k0d, PDBe:1k0d, PDBj:1k0d
PDBsum1k0d
PubMed11695904
UniProtP23202|URE2_YEAST Transcriptional regulator URE2 (Gene Name=URE2)

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