Structure of PDB 4hjv Chain D Binding Site BS01

Receptor Information

>4hjv Chain D (length=182) Species: 83333 (Escherichia coli K-12)

YTNPPWNAKVPVQRAMQWMPISQKAGAAWGVDPQLITAIIAIESGGNPNA
VSKSNAIGLMQLKASTSGRDVYRRMGWSGEPTTSELKNPERNISMGAAYL
NILETGPLAGIEDPKVLQYALVVSYANGAGALLRTFSSDRKKAISKINDL
DADEFLEHVARNHPAPQAPRYIYKLEQALDAM

Ligand information

• Ligand ID: AMU
• InChI: InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6-,7-,8-,9-,11-/m1/s1
• InChIKey: MNLRQHMNZILYPY-YVNCZSHWSA-N
• SMILES:
  CACTVS 3.341: C[CH](O[CH]1[CH](O)[CH](CO)O[CH](O)[CH]1NC(C)=O)C(O)=O
  ACDLabs 10.04: O=C(O)C(OC1C(O)C(OC(O)C1NC(=O)C)CO)C
  OpenEye OEToolkits 1.5.0: CC(C(=O)O)OC1C(C(OC(C1O)CO)O)NC(=O)C
  CACTVS 3.341: C[C@@H](O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]1NC(C)=O)C(O)=O
  OpenEye OEToolkits 1.5.0: C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C
• Formula: C11 H19 N O8
• Name: N-acetyl-beta-muramic acid;
  N-acetyl-muramic acid;
  BETA-N-ACETYLMURAMIC ACID
• ZINC: ZINC000004095908
• PDB chain: 4hjv Chain H Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4hjv On the Mechanism of Peptidoglycan Binding and Cleavage by the endo-Specific Lytic Transglycosylase MltE from Escherichia coli.
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): W27 E64 R191 K195
• Binding residue (residue number reindexed from 1): W6 E43 R170 K174
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 4.2.2.n2: peptidoglycan lytic endotransglycosylase.

Gene Ontology

Molecular Function

• GO:0008932 lytic endotransglycosylase activity
• GO:0008933 lytic transglycosylase activity
• GO:0016829 lyase activity
• GO:0016837 carbon-oxygen lyase activity, acting on polysaccharides

Biological Process

• GO:0000270 peptidoglycan metabolic process
• GO:0016998 cell wall macromolecule catabolic process
• GO:0051301 cell division
• GO:0071555 cell wall organization

Cellular Component

• GO:0009279 cell outer membrane
• GO:0016020 membrane

External links

• PDB: RCSB:4hjv, PDBe:4hjv, PDBj:4hjv
• PDBsum: 4hjv
• PubMed: 23075328
• UniProt: P0C960|EMTA_ECOLI Endo-type membrane-bound lytic murein transglycosylase A (Gene Name=emtA)