Structure of PDB 6upe Chain A Binding Site BS01

Receptor Information

>6upe Chain A (length=246) Species: 216597 (Salmonella enterica subsp. enterica serovar Typhimurium str. SL1344) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MAEPLTVSPELTANYAYFFDLDGTLAEIKPHPDQVVVPHKILQLLDRLAA
HNAGALALISGRSMTELDALAKPFRFPLAGVHGAERRDINGKTHIVRLPE
AVVREVEALLRSTLVALPGTELESKGMAFALHYRQAPEHEAALLALAQHV
TQHWPQLALQLGKCVVEIKPKGTNKGEAIAAFMQEAPFAGRIPVFVGDDL
TDEAGFGVVNHAGGISVKVGVGATQAAWRLESVPDVWRWLEQINYP

Ligand information

Ligand ID

InChI

InChI=1S/Mg/q+2

InChIKey

JLVVSXFLKOJNIY-UHFFFAOYSA-N

SMILES

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

Formula

Name

MAGNESIUM ION

PDB chain

6upe 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	6upe Structural Analysis of Binding Determinants ofSalmonella typhimuriumTrehalose-6-phosphate Phosphatase Using Ground-State Complexes.
Resolution	2.244 Å
Binding residue (original residue number in PDB)	D20 D202
Binding residue (residue number reindexed from 1)	D20 D202
Annotation score	1

Enzymatic activity

Enzyme Commision number

3.1.3.12: trehalose-phosphatase.

Gene Ontology

	Molecular Function
GO:0000287	magnesium ion binding
GO:0004805	trehalose-phosphatase activity
GO:0016787	hydrolase activity
GO:0016791	phosphatase activity
GO:0046872	metal ion binding

	Biological Process
GO:0005992	trehalose biosynthetic process

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Molecular Function

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Biological Process

External links

PDB	RCSB:6upe, PDBe:6upe, PDBj:6upe
PDBsum	6upe
PubMed	32786412
UniProt	E1WGG9\|OTSB_SALTS Trehalose-phosphate phosphatase (Gene Name=otsB)

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