Structure of PDB 4hjv Chain A Binding Site BS01

Receptor Information
>4hjv Chain A (length=184) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HDYTNPPWNAKVPVQRAMQWMPISQKAGAAWGVDPQLITAIIAIESGGNP
NAVSKSNAIGLMQLKASTSGRDVYRRMGWSGEPTTSELKNPERNISMGAA
YLNILETGPLAGIEDPKVLQYALVVSYANGAGALLRTFSSDRKKAISKIN
DLDADEFLEHVARNHPAPQAPRYIYKLEQALDAM
Ligand information
Ligand IDAMU
InChIInChI=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
InChIKeyMNLRQHMNZILYPY-YVNCZSHWSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[CH](O[CH]1[CH](O)[CH](CO)O[CH](O)[CH]1NC(C)=O)C(O)=O
ACDLabs 10.04O=C(O)C(OC1C(O)C(OC(O)C1NC(=O)C)CO)C
OpenEye OEToolkits 1.5.0CC(C(=O)O)OC1C(C(OC(C1O)CO)O)NC(=O)C
CACTVS 3.341C[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 1.5.0C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C
FormulaC11 H19 N O8
NameN-acetyl-beta-muramic acid;
N-acetyl-muramic acid;
BETA-N-ACETYLMURAMIC ACID
ChEMBL
DrugBank
ZINCZINC000004095908
PDB chain4hjv Chain F Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4hjv On the Mechanism of Peptidoglycan Binding and Cleavage by the endo-Specific Lytic Transglycosylase MltE from Escherichia coli.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		W27 E64 R191 K195
Binding residue
(residue number reindexed from 1)		W8 E45 R172 K176
Annotation score4
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

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4hjv, PDBe:4hjv, PDBj:4hjv
PDBsum4hjv
PubMed23075328
UniProtP0C960|EMTA_ECOLI Endo-type membrane-bound lytic murein transglycosylase A (Gene Name=emtA)

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