Structure of PDB 3fza Chain A Binding Site BS01

Receptor Information
>3fza Chain A (length=106) Species: 47664 (Populus tremula x Populus tremuloides) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSRLEDAVKKTVAENPVVVYSKTWCSYSSEVKSLFKRLNVDPLVVELDEL
GAQGPQIQKVLERLTGQHTVPNVFIGGKHIGGCTDTVKLYRKGELEPLLS
EANAKK
Ligand information
Ligand IDGSH
InChIInChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
InChIKeyRWSXRVCMGQZWBV-WDSKDSINSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CS
OpenEye OEToolkits 1.7.6C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370N[CH](CCC(=O)N[CH](CS)C(=O)NCC(O)=O)C(O)=O
CACTVS 3.370N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N
FormulaC10 H17 N3 O6 S
NameGLUTATHIONE
ChEMBLCHEMBL1543
DrugBankDB00143
ZINCZINC000003830891
PDB chain3fza Chain A Residue 114 [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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PDB3fza Structure-function relationship of the chloroplastic glutaredoxin S12 with an atypical WCSYS active site.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		W28 C29 Y31 H72 T73 V74 G86 C87 T88
Binding residue
(residue number reindexed from 1)		W24 C25 Y27 H68 T69 V70 G82 C83 T84
Annotation score4
External links