BMRB: 6649

Solution structure of the peptidoglycan binding domain of B. subtilis cell wall lytic enzyme CwlC: Characterization of the sporulation-related repeats by NMR

Authors

Mishima, M., Shida, T., Yabuki, K., Kato, K., Sekiguchi, J., Kojima, C.

Assembly

Sporulation-specific N-acetylmuramoyl-L-alanine amidase (E.C.3.5.1.28)

Entity

1. Sporulation-specific N-acetylmuramoyl-L-alanine amidase (E.C.3.5.1.28) (polymer, Thiol state: not present), 79 monomers, 8251.315 Da Detail

LKKTSSSGLY KVQIGAFKVK ANADSLASNA EAKGFDSIVL LKDGLYKVQI GAFSSKDNAD TLAARAKNAG FDAIVILES

Formula weight

8251.315 Da

Source organism

Bacillus subtilis

Exptl. method

NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 93.7 %, Completeness: 72.1 %, Completeness (bb): 76.6 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	72.1 % (638 of 885)	78.0 % (354 of 454)	60.7 % (210 of 346)	87.1 % (74 of 85)
Backbone	76.6 % (363 of 474)	89.0 % (146 of 164)	61.9 % (143 of 231)	93.7 % (74 of 79)
Sidechain	70.2 % (340 of 484)	71.7 % (208 of 290)	70.2 % (132 of 188)	0.0 % (0 of 6)
Aromatic	8.9 % (5 of 56)	17.9 % (5 of 28)	0.0 % (0 of 28)
Methyl	91.2 % (93 of 102)	96.1 % (49 of 51)	86.3 % (44 of 51)

1. Sporulation-specific N-acetylmuramoyl-L-alanine amidase (E.C.3.5.1.28)

LKKTSSSGLY KVQIGAFKVK ANADSLASNA EAKGFDSIVL LKDGLYKVQI GAFSSKDNAD TLAARAKNAG FDAIVILES

Show sample condition

Sample #1

Pressure 1 atm, Temperature 303 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
1	Sporulation-specific N-acetylmuramoyl-L-alanine amidase (E.C.3.5.1.28)	[U-15N; U-13C]		1.7 mM
2	phosphate buffer K			50 mM
3	D2O			100 %

Sample #2

Pressure 1 atm, Temperature 303 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
4	Sporulation-specific N-acetylmuramoyl-L-alanine amidase (E.C.3.5.1.28)	[U-15N]		1.7 mM
5	phosphate buffer K			50 mM
6	H2O			90 %
7	D2O			10 %

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LACS Plot; CA

Referencing offset: 0.46 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	DSS	methyl protons	0.0 ppm	external	direct	1.0
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CB

Referencing offset: 0.46 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	DSS	methyl protons	0.0 ppm	external	direct	1.0
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; HA

Referencing offset: -0.11 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	DSS	methyl protons	0.0 ppm	external	direct	1.0
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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Protein Blocks Logo

Calculated from 30 models in PDB: 1X60, Strand ID: A Detail

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Release date

2005-12-04

Citation

Solution structure of the peptidoglycan binding domain of Bacillus subtilis cell wall lytic enzyme CwlC: characterization of the sporulation-related repeats by NMR
Mishima, M., Shida, T., Yabuki, K., Kato, K., Sekiguchi, J., Kojima, C.
Biochemistry (2005), 44, 10153-10163, PubMed 16042392 , DOI 10.1021/bi050624n , Abstract

Entries sharing articles Swiss-Prot: 1 entries Detail

Related entities 1. Sporulation-specific N-acetylmuramoyl-L-alanine amidase (E.C.3.5.1.28), : 1 : 1 : 4 entities Detail

Experiments performed 2 experiments Detail