Structure of PDB 5oes Chain C Binding Site BS02

Receptor Information
>5oes Chain C (length=447) Species: 4113 (Solanum tuberosum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IVDPHDIDPKLVQKLANDALVWCSLRGLLVGDRNSERSGTVPGVDMVHAP
VALIPMSFPESHWKQACEVAPIFNELVDRVSQDGEFLQQSLSRTRKVDPF
TSRLLEIHSKMLEINKIEEIRLGLHRSDYMLDEQTKLLLQIELNTISSSF
PGLSCLVSELHRSLLQQYREDIASDPNRIPANNAVNQFAEALAKAWNEYG
DPRAVIMFAVQAEERNMYDQHWLSASLRERHQVTTIRKTLAEIDALGELQ
QDGTLVVDGQAVAVIYFRAGYAPSDYNSESEWKARLLMEQSRAVKCPSIS
YHLAGSKKIQQELAKPNVLERFLENKDDIAKLRKCFAGLWSLDESDIVKD
AIDRPELYVMKPQNNIYGEDVRDALLKLYILMQRIFPKISHSILMREGIS
HKEQTISELGIYGTYLRNKTEVVINQQAGYLMRTKVSFAVLDSIYLV
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 chain5oes Chain C Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5oes Effector gene birth in plant parasitic nematodes: Neofunctionalization of a housekeeping glutathione synthetase gene.
Resolution2.48 Å
Binding residue
(original residue number in PDB)		R137 I157 S158 S160 E225 N227 Q231 R279 Y282
Binding residue
(residue number reindexed from 1)		R126 I146 S147 S149 E214 N216 Q220 R268 Y271
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:0043295 glutathione binding
GO:0046872 metal ion binding
Biological Process
GO:0006750 glutathione biosynthetic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5oes, PDBe:5oes, PDBj:5oes
PDBsum5oes
PubMed29641602
UniProtM1CSC4

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