Structure of PDB 1m0w Chain A Binding Site BS03

Receptor Information
>1m0w Chain A (length=481) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PSKDQLNELIQEVNQWAITNGLSMYPPKFEENPSNASVSPVTIYPTPIPR
KCFDEAVQIQPVFNELYARITQDMAQPDSYLHKTTEALALSDSEFTGKLW
SLYLATLKSAQYKKQNFRLGIFRSDYLIDKKKGTEQIKQVEFNTVSVSFA
GLSEKVDRLHSYLNRANKYDPKGPIYNDQNMVISDSGYLLSKALAKAVES
YKSQQSDPIVAFIVQRNERNVFDQKVLELNLLEKFGTKSVRLTFDDVNDK
LFIDDKTGKLFIRDTEQEIAVVYYRTGYTTTDYTSEKDWEARLFLEKSFA
IKAPDLLTQLSGSKKIQQLLTDEGVLGKYISDAEKKSSLLKTFVKIYPLD
DTKLGREGKRLALSEPSKYVLKPQREGGGNNVYKENIPNFLKGIEERHWD
AYILMELIEPELNENNIILRDNKSYNEPIISELGIYGCVLFNDEQVLSNE
FSGSLLRSKFNTSNEGGVAAGFGCLDSIILY
Ligand information
Ligand ID3GC
InChIInChI=1S/C8H14N2O5S/c9-4(7(12)13)1-2-6(11)10-5(3-16)8(14)15/h4-5,16H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5-/m0/s1
InChIKeyRITKHVBHSGLULN-WHFBIAKZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC(=O)N[C@@H](CS)C(=O)O)[C@@H](C(=O)O)N
CACTVS 3.341N[CH](CCC(=O)N[CH](CS)C(O)=O)C(O)=O
CACTVS 3.341N[C@@H](CCC(=O)N[C@@H](CS)C(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C(CC(=O)NC(CS)C(=O)O)C(C(=O)O)N
ACDLabs 10.04O=C(O)C(NC(=O)CCC(C(=O)O)N)CS
FormulaC8 H14 N2 O5 S
NameGAMMA-GLUTAMYLCYSTEINE
ChEMBLCHEMBL460831
DrugBankDB03408
ZINCZINC000003870040
PDB chain1m0w Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1m0w Large Conformational Changes in the Catalytic Cycle of Glutathione Synthase
Resolution1.8 Å
Binding residue
(original residue number in PDB)		R128 N148 S151 V152 S153 E228 Q234 R285 Y288
Binding residue
(residue number reindexed from 1)		R123 N143 S146 V147 S148 E218 Q224 R275 Y278
Annotation score3
Enzymatic activity
Enzyme Commision number 6.3.2.3: glutathione synthase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004363 glutathione synthase activity
GO:0005524 ATP binding
GO:0016874 ligase activity
GO:0042803 protein homodimerization activity
GO:0043295 glutathione binding
GO:0046872 metal ion binding
Biological Process
GO:0006750 glutathione biosynthetic process
Cellular Component
GO:0005737 cytoplasm
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:1m0w, PDBe:1m0w, PDBj:1m0w
PDBsum1m0w
PubMed12467574
UniProtQ08220|GSHB_YEAST Glutathione synthetase GSH2 (Gene Name=GSH2)

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