Structure of PDB 1fw1 Chain A Binding Site BS01

Receptor Information
>1fw1 Chain A (length=208) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPILYSYFRSSCSWRVRIALALKGIDYKTVPINLIKDGGQQFSKDFQALN
PMKQVPTLKIDGITIHQSLAIIEYLEETRPTPRLLPQDPKKRASVRMISD
LIAGGIQPLQNLSVLKQVGEEMQLTWAQNAITCGFNALEQILQSTAGIYC
VGDEVTMADLCLVPQVANAERFKVDLTPYPTISSINKRLLVLEAFQVSHP
CRQPDTPT
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain1fw1 Chain A Residue 218 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1fw1 Crystal structure of maleylacetoacetate isomerase/glutathione transferase zeta reveals the molecular basis for its remarkable catalytic promiscuity.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		S15 Q111 Q114 N172 R175
Binding residue
(residue number reindexed from 1)		S11 Q107 Q110 N168 R171
Annotation score1
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:0004602 glutathione peroxidase activity
GO:0005515 protein binding
GO:0016034 maleylacetoacetate isomerase activity
GO:0016740 transferase activity
GO:0016853 isomerase activity
GO:0042802 identical protein binding
GO:0042803 protein homodimerization activity
Biological Process
GO:0006559 L-phenylalanine catabolic process
GO:0006572 tyrosine catabolic process
GO:0006749 glutathione metabolic process
GO:0009072 aromatic amino acid metabolic process
GO:0098869 cellular oxidant detoxification
GO:1990748 cellular detoxification
Cellular Component
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005759 mitochondrial matrix
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1fw1, PDBe:1fw1, PDBj:1fw1
PDBsum1fw1
PubMed11327815
UniProtO43708|MAAI_HUMAN Maleylacetoacetate isomerase (Gene Name=GSTZ1)

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