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- ChemComp-3GC: GAMMA-GLUTAMYLCYSTEINE -

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Basic information

EntryDatabase: PDB chemical components / ID: 3GC
NameName: gamma-glutamylcysteine

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Chemical information

Composition
Formula: C8H14N2O5S / Number of atoms: 30 / Formula weight: 250.272 / Formal charge: 0
Others

1m0w

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 3GC / Model coordinates PDB-ID: 1M0W
History
Create componentJul 1, 2002
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / HMDB / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04O=C(O)C(NC(=O)CCC(C(=O)O)N)CS
CACTVS 3.341N[CH](CCC(=O)N[CH](CS)C(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C(CC(=O)NC(CS)C(=O)O)C(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.341N[C@@H](CCC(=O)N[C@@H](CS)C(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C(CC(=O)N[C@@H](CS)C(=O)O)[C@@H](C(=O)O)N

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InChI

InChI 1.03InChI=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

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InChIKey

InChI 1.03RITKHVBHSGLULN-WHFBIAKZSA-N

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SYSTEMATIC NAME

ACDLabs 10.04L-gamma-glutamyl-L-cysteine
OpenEye OEToolkits 1.5.0(2S)-2-amino-5-[[(2R)-1-hydroxy-1-oxo-3-sulfanyl-propan-2-yl]amino]-5-oxo-pentanoic acid

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PDB entries

Showing all 5 items

PDB-1m0w:
Yeast Glutathione Synthase Bound to gamma-glutamyl-cysteine, AMP-PNP and 2 Magnesium Ions

PDB-2bu3:
Acyl-enzyme intermediate between Alr0975 and glutathione at pH 3.4

PDB-3kak:
Structure of homoglutathione synthetase from Glycine max in open conformation with gamma-glutamyl-cysteine bound.

PDB-4x8d:
Ergothioneine-biosynthetic sulfoxide synthase EgtB in complex with N,N-dimethyl-histidine and gamma-glutamyl-cysteine

PDB-5oes:
The structure of a glutathione synthetase (StGSS1) from Solanum tuberosum in ADP and y-EC bound closed conformation.

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