Structure of PDB 4xgb Chain A Binding Site BS01

Receptor Information

>4xgb Chain A (length=262) Species: 99287 (Salmonella enterica subsp. enterica serovar Typhimurium str. LT2)

HHHHHGMASMRILLSNDDGVHAPGIQTLAKALREFADVQVVAPDRNRSGA
SNSLTLESSLRTFTFDNGDIAVQMGTPTDCVYLGVNALMRPRPDIVVSGI
NAGPNLGDDVIYSGTVAAAMAGRHLGFPALAVSLNGYQHYDTAAAVTCAL
LRGLSREPLRTGRILNVNVPDLPLAQVKGIRVTRCGSRHPADKVIPQEDP
RGNTLYWIGPPGDKYDAGPDTDFAAVDEGYVSVTPLHVDLTAASAHDVVS
DWLDSVGVGTQW

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 4xgb Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4xgb Insights into stabilizing interactions in the distorted domain-swapped dimer of Salmonella typhimurium survival protein.
• Resolution: 2.23 Å
• Binding residue (original residue number in PDB): D8 D9 S39 N92
• Binding residue (residue number reindexed from 1): D17 D18 S48 N101
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.1.3.5: 5'-nucleotidase.
  3.1.3.6: 3'-nucleotidase.
  3.6.1.11: exopolyphosphatase.

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0004309 exopolyphosphatase activity
• GO:0008252 nucleotidase activity
• GO:0008253 5'-nucleotidase activity
• GO:0008254 3'-nucleotidase activity
• GO:0016787 hydrolase activity
• GO:0046872 metal ion binding
• GO:0106411 XMP 5'-nucleosidase activity

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:4xgb, PDBe:4xgb, PDBj:4xgb
• PDBsum: 4xgb
• PubMed: 26327371
• UniProt: P66881|SURE_SALTY 5'/3'-nucleotidase SurE (Gene Name=surE)