Structure of PDB 6qw7 Chain A Binding Site BS01

Receptor Information

>6qw7 Chain A (length=270) Species: 40324 (Stenotrophomonas maltophilia)

NAPTDAAITAASDFAALEKACAGRLGVTLLDTASGRRIGHRQDERFPMCS
TFKSMLAATVLSQAERMPALLDRRVPVGEADLLSHAPVTRRHAGKDMTVR
DLCRATIITSDNTAANLLFGVVGGPPAVTAFLRASGDTVSRSDRLEPELN
SFAKGDPRDTTTPAAMAATLQRVVLGEVLQPASRQQLADWLIDNETGDAC
LRAGLGKRWRVGDKTGSNGEDARNDIAVLWPVAGGAPWVLTAYLQAGAIS
YEQRASVLAQVGRIADRLIG

Ligand information

• Ligand ID: DSN
• InChI: InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1
• InChIKey: MTCFGRXMJLQNBG-UWTATZPHSA-N
• SMILES:
  CACTVS 3.341: N[CH](CO)C(O)=O
  OpenEye OEToolkits 1.5.0: C([C@H](C(=O)O)N)O
  CACTVS 3.341: N[C@H](CO)C(O)=O
  OpenEye OEToolkits 1.5.0: C(C(C(=O)O)N)O
  ACDLabs 10.04: O=C(O)C(N)CO
• Formula: C3 H7 N O3
• Name: D-SERINE
• ChEMBL: CHEMBL285123
• DrugBank: DB03929
• ZINC: ZINC000000895342
• PDB chain: 6qw7 Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6qw7 Molecular Basis of Class A beta-Lactamase Inhibition by Relebactam.
• Resolution: 1.78 Å
• Binding residue (original residue number in PDB): S70 G236 S237
• Binding residue (residue number reindexed from 1): S50 G216 S217
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): S70 K73 S130 E166 K234 S237
• Catalytic site (residue number reindexed from 1): S50 K53 S110 E146 K214 S217
• 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:0030655 beta-lactam antibiotic catabolic process
• GO:0046677 response to antibiotic

External links

• PDB: RCSB:6qw7, PDBe:6qw7, PDBj:6qw7
• PDBsum: 6qw7
• PubMed: 31383664
• UniProt: Q9RBQ1