Structure of PDB 4qrn Chain A Binding Site BS01

Receptor Information

>4qrn Chain A (length=352) Species: 279238 (Novosphingobium aromaticivorans DSM 12444) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SMTQDLKTGGEQGYLRIATEEAFATREIIDVYLRMIRDGTADKGMVSLWG
FYAQSPSERATQILERLLDLGERRIADMDATGIDKAILALTSPGVQPLHD
LDEARTLATRANDTLADACQKYPDRFIGMGTVAPQDPEWSAREIHRGARE
LGFKGIQINSHTQGRYLDEEFFDPIFRALVEVDQPLYIHPATSPDSMIDP
MLEAGLDGAIFGFGVETGMHLLRLITIGIFDKYPSLQIMVGHMGEALPYW
LYRLDYMHQAGVRSQRYERMKPLKKTIEGYLKSNVLVTNSGVAWEPAIKF
CQQVMGEDRVMYAMDYPYQYVADEVRAMDAMDMSAQTKKKFFQTNAEKWF
KL

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

4qrn Chain A 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	4qrn Crystal Structure of 5-Carboxyvanillate Decarboxylase from Novosphingobium Aromaticivorans
Resolution	1.07 Å
Binding residue (original residue number in PDB)	E19 H188 D314
Binding residue (residue number reindexed from 1)	E20 H189 D315
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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Molecular Function

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Cellular Component

External links

PDB	RCSB:4qrn, PDBe:4qrn, PDBj:4qrn
PDBsum	4qrn
PubMed
UniProt	Q2GA79

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