Structure of PDB 7c91 Chain A Binding Site BS03

Receptor Information

>7c91 Chain A (length=320) Species: 1648923 (Bacillus paralicheniformis)

KKKVALITTGGTIASRKTESGRLAAGAISGPELAEMCSLPEDVQIDVYPA
FQLPSMHITFQHLLELKQTVERVFQDGSYDGVVVTHGTDTLEETAYFLDL
TLQDERPVVVTGSQRAPEQQGTDAYTNIRHAVYTACSPDIKGAGTVVVFN
ERIFNARYVKKVHASNLQGFDVFGFGYLGIIDNDKVYVYQKPLKRDVHQL
QRPLPEVDIVKCYLDGDGKFIRAAVREGAAGIVLEGVGRGQVPPNMVGDI
EQALHQGVYIVITTSAEEGEVYTTYDYAGSSYDLAKKGVILGKDYDSKKA
RMKLAVLLASYEEGIKDKFC

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: 7c91 Chain A Residue 403

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7c91 Structures of l-asparaginase from Bacillus licheniformis Reveal an Essential Residue for its Substrate Stereoselectivity.
• Resolution: 1.98 Å
• Binding residue (original residue number in PDB): N246 D250
• Binding residue (residue number reindexed from 1): N245 D249
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): T13 L24 E36 T89 D90 N156 K162 T274 A279 G280 S282
• Catalytic site (residue number reindexed from 1): T12 L23 E35 T88 D89 N155 K161 T273 A278 G279 S281

Gene Ontology

Molecular Function

• GO:0004067 asparaginase activity
• GO:0016787 hydrolase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006520 amino acid metabolic process
• GO:0006528 asparagine metabolic process

External links

• PDB: RCSB:7c91, PDBe:7c91, PDBj:7c91
• PDBsum: 7c91
• PubMed: 33371681
• UniProt: A0A6I7U6Y2