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Receptor Information

>5uun Chain B (length=284) Species: 279238 (Novosphingobium aromaticivorans DSM 12444) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

YVPPKVWKWDKANGGAFASVNRPVAGPTSERELPVGKHPFQVYSLGTPNG
QKATIMLEELLQLGFSEAEYDAWLIKIFEGDQFTSGFVDINPNSKIPAMV
DRSGPEPFRVFESGAILMHLAEKFGVFLPTSGPARAECLSWLFWQVGSAP
FIGGGFGHFYNYAPIKIEYAIDRYAMETKRLFDVANRRLAESRYLAGDEY
TIADLATYTWFGNIYRGEAYGEAATFLSMHEYEHVGRWVGEIDARPGVLR
GRLVNSSKGLAERHDASDFDALPPESLQAIVKGF

Ligand ID

GSH

InChI

InChI=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

InChIKey

RWSXRVCMGQZWBV-WDSKDSINSA-N

SMILES

Software	SMILES
ACDLabs 12.01	O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CS
OpenEye OEToolkits 1.7.6	C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370	N[CH](CCC(=O)N[CH](CS)C(=O)NCC(O)=O)C(O)=O
CACTVS 3.370	N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6	C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N

Formula

C10 H17 N3 O6 S

Name

GLUTATHIONE

PDB chain

5uun Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	5uun Novosphingobium aromaticivoransuses a Nu-class glutathioneS-transferase as a glutathione lyase in breaking the beta-aryl ether bond of lignin.
Resolution	1.45 Å
Binding residue (original residue number in PDB)	T56 N58 Q91 K104 I105 E121 S122
Binding residue (residue number reindexed from 1)	T47 N49 Q82 K95 I96 E112 S113
Annotation score	4

Enzyme Commision number

	Molecular Function
GO:0016740	transferase activity

PDB	RCSB:5uun, PDBe:5uun, PDBj:5uun
PDBsum	5uun
PubMed	29449375
UniProt	Q2G542

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Structure of PDB 5uun Chain B Binding Site BS01