Structure of PDB 1sml Chain A Binding Site BS01

Receptor Information

>1sml Chain A (length=266) Species: 40324 (Stenotrophomonas maltophilia)

EVPLPQLRAYTVDASWLQPMAPLQIADHTWQIGTEDLTALLVQTPDGAVL
LDGGMPQMASHLLDNMKARGVTPRDLRLILLSHAHADHAGPVAELKRRTG
AKVAANAESAVLLARGGSDDLHFGDGITYPPANADRIVMDGEVITVGGIV
FTAHFMAGHTPGSTAWTWTDTRNGKPVRIAYADSLSAPGYQLQGNPRYPH
LIEDYRRSFATVRALPCDVLLTPHPGASNWDYAAGARAGAKALTCKAYAD
AAEQKFDGQLAKETAG

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 1sml Chain A Residue 270

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1sml The crystal structure of the L1 metallo-beta-lactamase from Stenotrophomonas maltophilia at 1.7 A resolution.
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): D88 H89 H225
• Binding residue (residue number reindexed from 1): D87 H88 H224
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H84 H86 D88 H89 H160 Y191 H225
• Catalytic site (residue number reindexed from 1): H83 H85 D87 H88 H159 Y190 H224
• Enzyme Commision number: 3.5.2.6: beta-lactamase.

Gene Ontology

Molecular Function

• GO:0008270 zinc ion binding
• GO:0008800 beta-lactamase activity
• GO:0016787 hydrolase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0017001 antibiotic catabolic process
• GO:0030655 beta-lactam antibiotic catabolic process
• GO:0046677 response to antibiotic

Cellular Component

• GO:0042597 periplasmic space

External links

• PDB: RCSB:1sml, PDBe:1sml, PDBj:1sml
• PDBsum: 1sml
• PubMed: 9811546
• UniProt: P52700|BLA1_STEMA Metallo-beta-lactamase L1 type 3