Structure of PDB 2mtz Chain A Binding Site BS04

Receptor Information
>2mtz Chain A (length=169) Species: 224308 (Bacillus subtilis subsp. subtilis str. 168) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GRKLLTYQVKQGDTLNSIAADFRISTAALLQANPSLQAGLTAGQSIVIPG
LPDPYTIPYHIAVSIGAKTLTLSLNNRVMKTYPIAVGKILTQTPTGEFYI
INRQRNPGGPFGAYWLSLSKQHYGIHGTNNPASIGKAVSKGCIRMHNKDV
IELASIVPNGTRVTINRGS
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 chain2mtz Chain H Residue 11 [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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PDB2mtz Atomic model of a cell-wall cross-linking enzyme in complex with an intact bacterial peptidoglycan.
ResolutionN/A
Binding residue
(original residue number in PDB)		R2 K3 L4 V47
Binding residue
(residue number reindexed from 1)		R2 K3 L4 V47
Annotation score1
Enzymatic activity
Enzyme Commision number 2.-.-.-
Gene Ontology
Molecular Function
GO:0016740 transferase activity
GO:0016757 glycosyltransferase activity
GO:0016787 hydrolase activity
GO:0071972 peptidoglycan L,D-transpeptidase activity
Biological Process
GO:0008360 regulation of cell shape
GO:0009252 peptidoglycan biosynthetic process
GO:0018104 peptidoglycan-protein cross-linking
GO:0030435 sporulation resulting in formation of a cellular spore
GO:0071555 cell wall organization
Cellular Component
GO:0031160 spore wall

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2mtz, PDBe:2mtz, PDBj:2mtz
PDBsum2mtz
PubMed25429710
UniProtO34816|YKUD_BACSU Putative L,D-transpeptidase YkuD (Gene Name=ykuD)

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