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Receptor Information

>4cfo Chain B (length=327) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

DTNGFDILMGQFAHNIENIWGFKEVVIAGPKDYVKYTDQYQTRSHINFDD
GTITIETIAGTEPAAHLRRAIIKTLLMGDDPSSVDLYSDVDDITISKEPF
LYGQVVDNTGQPIRWEGRASNFADYLLKNRLKSRSNGLRIIYSVTINMVP
NHLDKRAHKYLGMVRQASRKYGVDESLILAIMQTQSSFNPYAVSRSDALG
LMQVVQHTAGKDVFRSQGKSGTPSRSFLFDPASNIDTGTAYLAMLNNVYL
GGIDNPTSRRYAVITAYNGGAGSVLRVFSNDKIQAANIINTMTPGDVYQT
LTTRHPSAESRRYLYKVNTAQKSYRRR

Ligand ID

NM9

InChI

InChI=1S/C12H22N2O7/c1-5(11(13)18)20-10-8(14-6(2)16)12(19-3)21-7(4-15)9(10)17/h5,7-10,12,15,17H,4H2,1-3H3,(H2,13,18)(H,14,16)/t5-,7-,8-,9-,10-,12-/m1/s1

InChIKey

RDTUJRBFQHDOEJ-PKKPQKKZSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.6	C[C@H](C(=O)N)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)OC)NC(=O)C
CACTVS 3.385	CO[CH]1O[CH](CO)[CH](O)[CH](O[CH](C)C(N)=O)[CH]1NC(C)=O
CACTVS 3.385	CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@H](C)C(N)=O)[C@H]1NC(C)=O
OpenEye OEToolkits 1.7.6	CC(C(=O)N)OC1C(C(OC(C1O)CO)OC)NC(=O)C
ACDLabs 12.01	O=C(N)C(OC1C(O)C(OC(OC)C1NC(=O)C)CO)C

Formula

C12 H22 N2 O7

Name

methyl 2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-D-glucopyranoside;
(2R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-2-(hydroxymethyl)-6-methoxy-3-oxidanyl-oxan-4-yl]oxypropanamide;
methyl 2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-D-glucoside;
methyl 2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-D-glucoside;
methyl 2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-glucoside

PDB chain

4cfo Chain D Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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PDB	4cfo Structure and Cell Wall Cleavage by Modular Lytic Transglycosylase Mltc of Escherichia Coli.
Resolution	2.9 Å
Binding residue (original residue number in PDB)	Q217 S226 S228 Q235 Y299 N300
Binding residue (residue number reindexed from 1)	Q185 S194 S196 Q203 Y267 N268
Annotation score	1

Enzyme Commision number

4.2.2.n1: peptidoglycan lytic exotransglycosylase.

	Molecular Function
GO:0008932	lytic endotransglycosylase activity
GO:0008933	lytic transglycosylase activity
GO:0016798	hydrolase activity, acting on glycosyl bonds
GO:0016829	lyase activity

	Biological Process
GO:0009253	peptidoglycan catabolic process
GO:0016998	cell wall macromolecule catabolic process
GO:0034599	cellular response to oxidative stress
GO:0051301	cell division
GO:0071236	cellular response to antibiotic
GO:0071555	cell wall organization

	Cellular Component
GO:0009279	cell outer membrane
GO:0030288	outer membrane-bounded periplasmic space

PDB	RCSB:4cfo, PDBe:4cfo, PDBj:4cfo
PDBsum	4cfo
PubMed	24988330
UniProt	P0C066\|MLTC_ECOLI Membrane-bound lytic murein transglycosylase C (Gene Name=mltC)

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Structure of PDB 4cfo Chain B Binding Site BS01