Structure of PDB 2cz2 Chain A Binding Site BS01

Receptor Information
>2cz2 Chain A (length=212) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GKPILYSYFRSSCSWRVRIALALKGIDYEIVPINLIKDGGQQFTEEFQTL
NPMKQVPALKIDGITIVQSLAIMEYLEETRPIPRLLPQDPQKRAIVRMIS
DLIASGIQPLQNLSVLKQVGQENQMQWAQKVITSGFNALEKILQSTAGKY
CVGDEVSMADVCLVPQVANAERFKVDLSPYPTISHINKELLALEVFQVSH
PRRQPDTPAELR
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 chain2cz2 Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2cz2 Crystal structure of glutathione transferase zeta 1-1 (maleylacetoacetate isomerase) from Mus musculus (form-1 crystal)
Resolution1.4 Å
Binding residue
(original residue number in PDB)		S14 C16 L38 Q45 Q58 V59 Q71 S72 Q111 N115 S117
Binding residue
(residue number reindexed from 1)		S11 C13 L35 Q42 Q55 V56 Q68 S69 Q108 N112 S114
Annotation score4
Enzymatic activity
Enzyme Commision number 2.5.1.18: glutathione transferase.
5.2.1.2: maleylacetoacetate isomerase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004364 glutathione transferase activity
GO:0016034 maleylacetoacetate isomerase activity
GO:0016740 transferase activity
GO:0016853 isomerase activity
Biological Process
GO:0006559 L-phenylalanine catabolic process
GO:0006572 tyrosine catabolic process
GO:0009072 aromatic amino acid metabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005739 mitochondrion

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2cz2, PDBe:2cz2, PDBj:2cz2
PDBsum2cz2
PubMed
UniProtQ9WVL0|MAAI_MOUSE Maleylacetoacetate isomerase (Gene Name=Gstz1)

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