Structure of PDB 4ivf Chain H Binding Site BS02

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 302 [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)		T15 N17 L39 R57 I58 Q77 T78
Binding residue
(residue number reindexed from 1)		T11 N13 L35 R53 I54 Q73 T74
Annotation score4
Enzymatic activity
Enzyme Commision number 2.5.1.18: glutathione transferase.
External links