Structure of PDB 4nhw Chain B Binding Site BS01

Receptor Information
>4nhw Chain B (length=215) Species: 1286640 (Sinorhizobium meliloti 2011) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLTIYGVYRSRASRNYWMAGELGLPFRSVPVVQAHRVADPLAADAPLNTK
SPGFLAINPMGLIPAIEDDGLVLTESLANNLYLARKHGGPLAPADIREEG
QIGNWTMWAATEVEPHAVKIVLAHDNTPEGRAEIAACARSLEKAFAVLET
HLAERDYVVGDRFTVADLNLAEVFRYTMSQTDLFKRHPQVKAWLARCQSR
PAFKAMMEERLKEPE
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 chain4nhw Chain B 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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PDB4nhw Crystal structure of glutathione transferase SMc00097 from Sinorhizobium meliloti, target EFI-507275
Resolution2.0 Å
Binding residue
(original residue number in PDB)		S10 R11 Q33 H35 T49 L62 I63 E75 S76
Binding residue
(residue number reindexed from 1)		S10 R11 Q33 H35 T49 L62 I63 E75 S76
Annotation score4
External links