Structure of PDB 9gac Chain A Binding Site BS01

Receptor Information

>9gac Chain A (length=280) Species: 238 (Elizabethkingia meningoseptica)

TNKPIVLSTWNFGLHANVEAWKVLSKGGKALDAVEKGVRLVEDDPTERSV
GYGGRPDRDGRVTLDACIMDENYNIGSVACMEHIKNPISVARAVMEKTPH
VMLVGDGALEFALSQGFKKENLLTAESEKEWKEWLHDCIGMIALDAQGNL
SGACTTSGMAYKMHGRVGDSPIIGAGLFVDNEIGAATATGHGEEVIRTVG
THLVVELMNQGRTPQQACKEAVERIVKIVNRRGKNLKDIQVGFIALNKKG
EYGAYCIQDGFNFAVHDQKGNRLETPGFAL

Ligand information

• Ligand ID: GLY
• InChI: InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
• InChIKey: DHMQDGOQFOQNFH-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(C(=O)O)N
  CACTVS 3.341: NCC(O)=O
  ACDLabs 10.04: O=C(O)CN
• Formula: C2 H5 N O2
• Name: GLYCINE
• ChEMBL: CHEMBL773
• DrugBank: DB00145
• ZINC: ZINC000004658552
• PDB chain: 9gac Chain A Residue 296

Receptor-Ligand Complex Structure

Structure summary

• PDB: 9gac Structural insights into the mechanism of intramolecular proteolysis.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): D151 R180 D183 G204 G206
• Binding residue (residue number reindexed from 1): D137 R166 D169 G190 G192
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): C152
• Catalytic site (residue number reindexed from 1): C138
• Enzyme Commision number: 3.5.1.26: N(4)-(beta-N-acetylglucosaminyl)-L-asparaginase.

Gene Ontology

Molecular Function

• GO:0003948 N4-(beta-N-acetylglucosaminyl)-L-asparaginase activity
• GO:0004067 asparaginase activity
• GO:0008233 peptidase activity
• GO:0008798 beta-aspartyl-peptidase activity
• GO:0016787 hydrolase activity

Biological Process

• GO:0006508 proteolysis
• GO:0006517 protein deglycosylation

Cellular Component

• GO:0005737 cytoplasm
• GO:0042597 periplasmic space

External links

• PDB: RCSB:9gac, PDBe:9gac, PDBj:9gac
• PDBsum: 9gac
• PubMed: 10490104
• UniProt: Q47898|ASPG_ELIMR N(4)-(Beta-N-acetylglucosaminyl)-L-asparaginase