Structure of PDB 4g9o Chain A Binding Site BS01

Receptor Information

>4g9o Chain A (length=244) Species: 99287 (Salmonella enterica subsp. enterica serovar Typhimurium str. LT2)

SMRILLSNDDGVHAPGIQTLAKALREFADVQVVAPDRNRSGASNSLTLES
SLRTFTFDNGDIAVQMGTPTDCVYLGVNALMRPRPDIVVSGINAGPNLGD
DVIYSGTVAAAMEGRHLGFPALAVSLNGYQHYDTAAAVTCALLRGLSREP
LRTGRILNVNVPDLPLAQVKGIRVTRCGSRHPADKVIPQEDPRGNTLYWI
GPDTDFAAVDEGYVSVTPLHVDLTAASAHDVVSDWLDSVGVGTQ

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: 4g9o Chain A Residue 305

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4g9o Dramatic Structural Changes Resulting from the Loss of a Crucial Hydrogen Bond in the Hinge Region Involved in C-Terminal Helix Swapping in SurE: A Survival Protein from Salmonella typhimurium.
• Resolution: 2.12 Å
• Binding residue (original residue number in PDB): D8 D9 S39 N92
• Binding residue (residue number reindexed from 1): D9 D10 S40 N93
• 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:4g9o, PDBe:4g9o, PDBj:4g9o
• PDBsum: 4g9o
• PubMed: 23409101
• UniProt: P66881|SURE_SALTY 5'/3'-nucleotidase SurE (Gene Name=surE)