Structure of PDB 4ni8 Chain G Binding Site BS01

Receptor Information

>4ni8 Chain G (length=335) Species: 13689 (Sphingomonas paucimobilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SLRLIATEEAVTFQPVVDALRAHSRTDDASLDMILVRDVYGDEPARPAMI
GRLSDVTGERLAEMDSNGVDMHLLSLTAPGVQMFDAETGTRLARIANDLM
AQTVAANPTRFAGLGTFAPQDPASAAREIERVATQLRLNGLVINSHTNDL
YYDDPFFHPVFEAIEASGLALYIHPRAPSKQIDRAFRDYGMNSAIWGYGI
ETSTNAVRMILSGLFDRFPRLKIVLGHMGEAIPFWLWRLDYMHGNATTFG
GAPKLKLKPSEYFRRNFAITTSGVESHAALRYSIEVLGPENVMWAIDYPY
QPMAPAVQFIRTAPIPEDVKAMVAGGNAARIFRIT

Ligand information

Ligand ID

InChI

InChI=1S/Mn/q+2

InChIKey

WAEMQWOKJMHJLA-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Mn+2]
CACTVS 3.341	[Mn++]

Formula

Name

MANGANESE (II) ION

PDB chain

4ni8 Chain G Residue 401 [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	4ni8 Crystal structure of 5-carboxyvanillate decarboxylase LigW from Sphingomonas paucimobilis complexed with Mn and 5-methoxyisophtalic acid
Resolution	1.64 Å
Binding residue (original residue number in PDB)	E7 H173 D296
Binding residue (residue number reindexed from 1)	E8 H174 D297
Annotation score	4

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0016787	hydrolase activity
GO:0016829	lyase activity
GO:0016831	carboxy-lyase activity
GO:0046872	metal ion binding

	Biological Process
GO:0019748	secondary metabolic process

	Cellular Component
GO:0005737	cytoplasm
GO:0005829	cytosol

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Cellular Component

External links

PDB	RCSB:4ni8, PDBe:4ni8, PDBj:4ni8
PDBsum	4ni8
PubMed
UniProt	Q8RJ47

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