Structure of PDB 1jzr Chain C Binding Site BS01
Receptor Information
>1jzr Chain C (length=255) Species:
4932
(Saccharomyces cerevisiae) [
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SRITKFFQEQPLEGYTLFSHRSAPNGFKVAIVLSELGFHYNTIFLDFNLG
EHRAPEFVSVNPNARVPALIDHGMDNLSIWESGAILLHLVNKYYKETGNP
LLWSDDLADQSQINAWLFFQTSGHAPMIGQALHFRYFHSQKIASAVERYT
DEVRRVYGVVEMALAERREALVMELDTENAAAYSAGTTPMSQSRFFDYPV
WLVGDKLTIADLAFVPWNNVVDRIGINIKIEFPEVYKWTKHMMRRPAVIK
ALRGE
Ligand information
Ligand ID
GSH
InChI
InChI=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
InChIKey
RWSXRVCMGQZWBV-WDSKDSINSA-N
SMILES
Software
SMILES
ACDLabs 12.01
O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CS
OpenEye OEToolkits 1.7.6
C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370
N[CH](CCC(=O)N[CH](CS)C(=O)NCC(O)=O)C(O)=O
CACTVS 3.370
N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6
C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N
Formula
C10 H17 N3 O6 S
Name
GLUTATHIONE
ChEMBL
CHEMBL1543
DrugBank
DB00143
ZINC
ZINC000003830891
PDB chain
1jzr Chain C Residue 356 [
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Receptor-Ligand Complex Structure
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PDB
1jzr
Crystal structures of the yeast prion Ure2p functional region in complex with glutathione and related compounds.
Resolution
2.9 Å
Binding residue
(original residue number in PDB)
P123 N124 F146 H151 R164 V165 E180 S181
Binding residue
(residue number reindexed from 1)
P24 N25 F47 H52 R65 V66 E81 S82
Annotation score
4
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
View graph for
Biological Process
External links
PDB
RCSB:1jzr
,
PDBe:1jzr
,
PDBj:1jzr
PDBsum
1jzr
PubMed
11695904
UniProt
P23202
|URE2_YEAST Transcriptional regulator URE2 (Gene Name=URE2)
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