Structure of PDB 4ivf Chain H Binding Site BS01

Receptor Information
>4ivf Chain H (length=218) Species: 379508 (Lodderomyces elongisporus NRRL YB-4239) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LKPIKLYTAPTPNGYKISIFLEVLGLDYEVQKFDLSKNETKEDWFVKLNP
NGRIPTINDPNFKGVDGGLVLSQTGAILQYLADTYDKEHKFSYPAGTAEY
YKTLEYLIFQVAENGPIQGQANHFVFAAKEKVPYGINRYITDTKRIYGVF
EDILSRNKANDSKYLVGDRYTVADFALLGWAYRLSRLEIDINQWPLLGKW
YDSLLKLPAVQKGFEVPP
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 chain4ivf Chain H Residue 301 [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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PDB4ivf Crystal structure of glutathione transferase homolog from Lodderomyces elongisporus, target EFI-501753, with two GSH per subunit
Resolution2.2 Å
Binding residue
(original residue number in PDB)		N17 R57 G119 P120 W184
Binding residue
(residue number reindexed from 1)		N13 R53 G115 P116 W180
Annotation score4
Enzymatic activity
Enzyme Commision number 2.5.1.18: glutathione transferase.
External links