Structure of PDB 4chs Chain A Binding Site BS01

Receptor Information

>4chs Chain A (length=215) Species: 3847 (Glycine max)

TDEVVLLDFWPSPFGMRVRIALAEKGIEYEYKEEDLRNKSPLLLQMNPVH
KKIPVLIHNGKPISESLIAVQYIEEVWNDRNPLLPSDPYQRAQARFWADY
VDIKIHDLGKKIWTSKGEEKEAAKKEFIEALKLLEEQLGDKTYFGGDNIG
FVDIALVPFYTWFKVYETFGSLNIENECPRFVAWAKRCLQKESVAKSLPD
QHKVYEFVVEIRKKL

Ligand information

• Ligand ID: GS8
• InChI: InChI=1S/C10H17N3O7S/c11-5(10(18)19)1-2-7(14)13-6(4-21-20)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
• InChIKey: PFXSQLOWBQWLCX-WDSKDSINSA-N
• SMILES:
  CACTVS 3.385: N[C@@H](CCC(=O)N[C@@H](CSO)C(=O)NCC(O)=O)C(O)=O
  OpenEye OEToolkits 1.9.2: C(CC(=O)NC(CSO)C(=O)NCC(=O)O)C(C(=O)O)N
  ACDLabs 12.01: O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CSO
  OpenEye OEToolkits 1.9.2: C(CC(=O)N[C@@H](CSO)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
  CACTVS 3.385: N[CH](CCC(=O)N[CH](CSO)C(=O)NCC(O)=O)C(O)=O
• Formula: C10 H17 N3 O7 S
• Name: S-Hydroxy-Glutathione
• ZINC: ZINC000219973738
• PDB chain: 4chs Chain A Residue 1217

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4chs Catalytic features and crystal structure of a tau class glutathione transferase from Glycine max specifically upregulated in response to soybean mosaic virus infections.
• Resolution: 1.6 Å
• Binding residue (original residue number in PDB): F15 L37 K40 K53 I54 E66 S67
• Binding residue (residue number reindexed from 1): F14 L36 K39 K52 I53 E65 S66
• Annotation score: 2

Enzymatic activity

• Enzyme Commision number: 2.5.1.18: glutathione transferase.

Gene Ontology

Molecular Function

• GO:0004364 glutathione transferase activity
• GO:0016740 transferase activity

Biological Process

• GO:0006749 glutathione metabolic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:4chs, PDBe:4chs, PDBj:4chs
• PDBsum: 4chs
• PubMed: 25479053
• UniProt: Q9FQE8