Structure of PDB 3s7z Chain B Binding Site BS03

Receptor Information

>3s7z Chain B (length=235) Species: 99287 (Salmonella enterica subsp. enterica serovar Typhimurium str. LT2)

SNAMKHTIGILGGMGPAATADMLEKFVELRHASCDQQHIPLIVSSIPDIP
DRTACLLSGGPSPYRYLERYLHMLEDAGAECIVIPCNTAHYWFDDLQNVA
KARMISILDATLGDIPPSARHVGLLATNATLATGLYQKKALARGLTLIQP
EDAGQALVMQAIYTLKRGDKTAAQALLLPQIDSLIARGAQAIIMGCTEIP
LIVAGHERAIACPMIDSTASLVRAAIRWYESWPDT

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: 3s7z Chain B Residue 245

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3s7z Crystal Structure of Putative Aspartate Racemase from Salmonella Typhimurium Complexed with Succinate.
• Resolution: 2.002 Å
• Binding residue (original residue number in PDB): E227 W229 T232
• Binding residue (residue number reindexed from 1): E230 W232 T235
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): A15 R49 C83 T85 T124 K163 C193
• Catalytic site (residue number reindexed from 1): A18 R52 C86 T88 T127 K166 C196

Gene Ontology

Molecular Function

• GO:0016597 amino acid binding
• GO:0016743 carboxyl- or carbamoyltransferase activity
• GO:0016853 isomerase activity
• GO:0016855 racemase and epimerase activity, acting on amino acids and derivatives
• GO:0036361 racemase activity, acting on amino acids and derivatives
• GO:0046872 metal ion binding
• GO:0047661 amino-acid racemase activity

Biological Process

• GO:0006520 amino acid metabolic process

External links

• PDB: RCSB:3s7z, PDBe:3s7z, PDBj:3s7z
• PDBsum: 3s7z
• UniProt: Q8ZJZ9