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Receptor Information

>5uun Chain A (length=286) Species: 279238 (Novosphingobium aromaticivorans DSM 12444) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SEYVPPKVWKWDKANGGAFASVNRPVAGPTSERELPVGKHPFQVYSLGTP
NGQKATIMLEELLQLGFSEAEYDAWLIKIFEGDQFTSGFVDINPNSKIPA
MVDRSGPEPFRVFESGAILMHLAEKFGVFLPTSGPARAECLSWLFWQVGS
APFIGGGFGHFYNYAPIKIEYAIDRYAMETKRLFDVANRRLAESRYLAGD
EYTIADLATYTWFGNIYRGEAYGEAATFLSMHEYEHVGRWVGEIDARPGV
LRGRLVNSSKGLAERHDASDFDALPPESLQAIVKGF

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 A 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 I86 Q91 K104 I105 E121 S122
Binding residue (residue number reindexed from 1)	T49 N51 I79 Q84 K97 I98 E114 S115
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 A Binding Site BS01