Structure of PDB 3r3s Chain A Binding Site BS02

Receptor Information

>3r3s Chain A (length=292) Species: 90371 (Salmonella enterica subsp. enterica serovar Typhimurium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

HLYDPTTQYYTGEYPKQKQPAPGVQAKMTPVPDCGEKSYVGSGRLKDRKA
LVTGGDSGIGRAAAIAYAREGADVAINYLPAEEEDAQQVKALIEECGRKA
VLLPGDLSDESFARSLVHKAREALGGLDILALVAGKQTAIPEIKDLTSEQ
FQQTFAVNVFALFWITQEAIPLLPKGASIITTSSIQAYQPSPHLLDYAAT
KAAILNYSRGLAKQVAEKGIRVNIVAPGPIWTALQISGGQTQDKIPQFGQ
QTPMKRAGQPAELAPVYVYLASQESSYVTAEVHGVCGGEHLG

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

3r3s Chain A Residue 296 [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	3r3s Structure of the YghA Oxidoreductase from Salmonella enterica
Resolution	1.25 Å
Binding residue (original residue number in PDB)	D58 S59 E84
Binding residue (residue number reindexed from 1)	D56 S57 E82
Annotation score	4

Enzymatic activity

Catalytic site (original residue number in PDB)	G60 S186 L196 Y199 K203 Q244
Catalytic site (residue number reindexed from 1)	G58 S184 L194 Y197 K201 Q242
Enzyme Commision number	?

Gene Ontology

	Molecular Function
GO:0000166	nucleotide binding
GO:0016491	oxidoreductase activity
GO:0016614	oxidoreductase activity, acting on CH-OH group of donors
GO:0016616	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0046872	metal ion binding

View graph for
Molecular Function

External links

PDB	RCSB:3r3s, PDBe:3r3s, PDBj:3r3s
PDBsum	3r3s
PubMed
UniProt	Q8ZM09

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