Structure of PDB 4yan Chain B Binding Site BS01

Receptor Information
>4yan Chain B (length=250) Species: 627192 (Sphingobium sp. SYK-6) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RNNTITLYDLQLESGCTISPYVWRTKYALKHKGFDIDIVPGGFTGILERT
GGRSERVPVIVDDGEWVLDSWVIAEYLDEKYPDRPMLFEGPTQKNLMKFL
DNWLWSTAVGPWFRCYILDYHDLSLPQDRDYVRWSREQWFLGGQRLEDVQ
AGREDRLPLVPPTLEPFRRILAETKWLGGDQPNFADYSALAVFLWTASVA
RTPPLTEDDPLRDWLDRGFDLFDGLGRHPGMNPLFGLKLREGDPEPFVRQ
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 chain4yan Chain B Residue 300 [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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PDB4yan Structural Basis of Stereospecificity in the Bacterial Enzymatic Cleavage of beta-Aryl Ether Bonds in Lignin.
Resolution2.593 Å
Binding residue
(original residue number in PDB)		S21 Y23 R58 V59 D71 S72
Binding residue
(residue number reindexed from 1)		S19 Y21 R56 V57 D69 S70
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links