Structure of PDB 2gwd Chain A Binding Site BS02

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 IDGLU
InChIInChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
InChIKeyWHUUTDBJXJRKMK-VKHMYHEASA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)C(N)CCC(=O)O
OpenEye OEToolkits 1.7.0C(CC(=O)O)C(C(=O)O)N
OpenEye OEToolkits 1.7.0C(CC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370N[C@@H](CCC(O)=O)C(O)=O
CACTVS 3.370N[CH](CCC(O)=O)C(O)=O
FormulaC5 H9 N O4
NameGLUTAMIC ACID
ChEMBLCHEMBL575060
DrugBankDB00142
ZINCZINC000001482113
PDB chain2gwd Chain A Residue 521 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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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 T242 C243 T244 R292 W296
Binding residue
(residue number reindexed from 1)		E29 E81 T164 C165 T166 R214 W218
Annotation score5
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

View graph for
Molecular Function
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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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