Structure of PDB 6fxe Chain B Binding Site BS01

Receptor Information
>6fxe Chain B (length=201) Species: 224326 (Borreliella burgdorferi B31) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QIKNKLLDDLKNLIETANEDRKKYEKKLEEEPSNQYGISIFKEIYWVASY
ETVADNTDRSKNYRKFTYATLNPINTNKLANLSKILIQSKQKTLLFGTFC
NLGRTFDTAINHLYPKKDALDKLEISNLEKLKNSFEKLLSMKSIVSDMLN
QLLLDYQDDKDSIKTDIAKLESHLTELYKQIEKKSSQATKLKNNILSISN
L
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 chain6fxe 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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PDB6fxe BBE31 from the Lyme disease agent Borrelia burgdorferi, known to play an important role in successful colonization of the mammalian host, shows the ability to bind glutathione.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		Y73 C110 N111
Binding residue
(residue number reindexed from 1)		Y63 C100 N101
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links