BioLiP

Receptor Information

>4cfo Chain A (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

NM6

InChI

InChI=1S/C11H20N2O7/c1-4(10(12)17)19-9-7(13-5(2)15)11(18)20-6(3-14)8(9)16/h4,6-9,11,14,16,18H,3H2,1-2H3,(H2,12,17)(H,13,15)/t4-,6-,7-,8-,9-,11-/m1/s1

InChIKey

MLHXTMGNPGMLSD-YVNCZSHWSA-N

SMILES

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

Formula

C11 H20 N2 O7

Name

2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-D-glucopyranose;
(2R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxypropanamide;
N-acetyl-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-beta-D-glucosamine;
2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-D-glucose;
2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-D-glucose;
2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-glucose

PDB chain

4cfo Chain C Residue 3 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

Global view

Local view

Structure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

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)	T240 D244 Y273 G301 G302 G304 S305
Binding residue (residue number reindexed from 1)	T208 D212 Y241 G269 G270 G272 S273
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)

[Back to BioLiP]

Structure of PDB 4cfo Chain A Binding Site BS02