Structure of PDB 6tzh Chain B Binding Site BS02

Receptor Information

>6tzh Chain B (length=358) Species: 470 (Acinetobacter baumannii)

NTPKDQEIKKLVDQNFKPLLEKYDVPGMAVGVIQNNKKYEMYYGLQSVQD
KKAVNSNTIFELGSVSKLFTATAGGYAKNKGKISFDDTPGKYWKELKNTP
IDQVNLLQLATYTSGNLALQFPDEVQTDQQVLTFFKDWKPKNPIGEYRQY
SNPSIGLFGKVVALSMNKPFDQVLEKTIFPALGLKHSYVNVPKTQMQNYA
FGYNQENQPIRVNPGPLDAPAYGVKSTLPDMLSFIHANLNPQKYPTDIQR
AINETHQGRYQVNTMYQALGWEEFSYPATLQTLLDSNSEQIVMKPNKVTA
ISKEPSVKMYHKTGSTSGFGTYVVFIPKENIGLVMLTNKRIPNEERIKAA
YVVLNAIK

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: 6tzh Chain B Residue 403

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6tzh 1,2,3-Triazolylmethaneboronate: A Structure Activity Relationship Study of a Class of beta-Lactamase Inhibitors againstAcinetobacter baumanniiCephalosporinase.
• Resolution: 2.04 Å
• Binding residue (original residue number in PDB): Y222 T316 S317
• Binding residue (residue number reindexed from 1): Y222 T316 S317
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): S64 K67 Y150 E272 K312 S315
• Catalytic site (residue number reindexed from 1): S64 K67 Y150 E272 K312 S315
• Enzyme Commision number: 3.5.2.6: beta-lactamase.

Gene Ontology

Molecular Function

• GO:0008800 beta-lactamase activity
• GO:0016787 hydrolase activity

Biological Process

• GO:0017001 antibiotic catabolic process
• GO:0046677 response to antibiotic

Cellular Component

• GO:0030288 outer membrane-bounded periplasmic space

External links

• PDB: RCSB:6tzh, PDBe:6tzh, PDBj:6tzh
• PDBsum: 6tzh
• PubMed: 32502340
• UniProt: Q6DRA1