Structure of PDB 2gwd Chain A Binding Site BS01

Receptor Information
>2gwd Chain A (length=436) Species: 3707 (Brassica juncea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EPLTREDLIAYLASGCKSKEKWRIGTEHEKFGFEVNTLRPMKYDQIAELL
NSIAERFEWEKVMEGDKIIGLKQGKQSISLEPGGQFELSGAPLETLHQTC
AEVNSHLYQVKAVAEEMGIGFLGMGFQPKWRREDIPTMPKGRYDIMRNYM
PKVGSLGLDMMLRTCTVQVNLDFSSEADMIRKFRAGLALQPIATALFANS
PFTEGKPNGFLSMRSHIWTDTDKDRTGMLPFVFDDSFGFEQYVDYALDVP
MYFAYRNGKYVDCTGMTFRQFLAGKLPCLPGELPTYNDWENHLTTIFPEV
RLKRYMEMRGADGGPWRRLCALPAFWVGLLYDEDVLQSVLDLTADWTPAE
REMLRNKVPVTGLKTPFRDGLLKHVAEDVLKLAKDGLERRGYKEVGFLNA
VTEVVRTGVTPAENLLEMYNGEWGQSVDPVFQELLY
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain2gwd Chain A Residue 515 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2gwd Structural basis for the redox control of plant glutamate cysteine ligase.
Resolution2.09 Å
Binding residue
(original residue number in PDB)		E107 E159 E165
Binding residue
(residue number reindexed from 1)		E29 E81 E87
Annotation score1
Enzymatic activity
Enzyme Commision number 6.3.2.2: glutamate--cysteine ligase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004357 glutamate-cysteine ligase activity
Biological Process
GO:0006750 glutathione biosynthetic process
GO:0042398 cellular modified amino acid biosynthetic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2gwd, PDBe:2gwd, PDBj:2gwd
PDBsum2gwd
PubMed16766527
UniProtO23736|GSH1_BRAJU Glutamate--cysteine ligase, chloroplastic (Gene Name=GSH1)

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