Structure of PDB 4xt0 Chain A Binding Site BS01

Receptor Information
>4xt0 Chain A (length=243) Species: 627192 (Sphingobium sp. SYK-6) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTLKLYSFGPGANSLKPLATLYEKGLEFEQVFVDPSKFEQHSDWFKKINP
RGQVPALWHDGKVVTESTVICEYLEDVFPESGNSLRPADPFKRAEMRVWT
KWVDEYFCWCVSTIGWAFGIKAIAQKMSDEEFEEHINKNVPIPEQQLKWR
RARNGFPQEMLDEEFRKVGVSVARLEETLSKQDYLVDTGYSLADICNFAI
ANGLQRPGGFFGDYVNQEKTPGLCAWLDRINARPAIKEMFEKS
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 chain4xt0 Chain A 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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PDB4xt0 Structural Basis of Stereospecificity in the Bacterial Enzymatic Cleavage of beta-Aryl Ether Bonds in Lignin.
Resolution2.07 Å
Binding residue
(original residue number in PDB)		N12 Q39 H40 Q52 V53 E65 S66 W148
Binding residue
(residue number reindexed from 1)		N13 Q40 H41 Q53 V54 E66 S67 W149
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links