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BMRB: 19799

2MKX

Solution structure of LysM the peptidoglycan binding domain of autolysin AtlA from Enterococcus faecalis

Authors

Baxter, N.J., Williamson, M.P.

Assembly

LysM the peptidoglycan binding domain of autolysin AtlA from Enterococcus faecalis

Entity

1. LysM the peptidoglycan binding domain of autolysin AtlA from Enterococcus faecalis (polymer, Thiol state: not present), 58 monomers, 6388.151 Da Detail

MGTNTYYTVK SGDTLNKIAA QYGVSVANLR SWNGISGDLI FVGQKLIVKK GSHHHHHH

Formula weight

6388.151 Da

Source organism

Enterococcus faecalis

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 87.9 %, Completeness: 87.2 %, Completeness (bb): 87.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	87.2 % (580 of 665)	87.4 % (297 of 340)	86.5 % (225 of 260)	89.2 % (58 of 65)
Backbone	87.9 % (306 of 348)	88.6 % (109 of 123)	87.4 % (146 of 167)	87.9 % (51 of 58)
Sidechain	86.4 % (318 of 368)	86.6 % (188 of 217)	85.4 % (123 of 144)	100.0 % (7 of 7)
Aromatic	65.7 % (46 of 70)	65.7 % (23 of 35)	64.7 % (22 of 34)	100.0 % (1 of 1)
Methyl	100.0 % (66 of 66)	100.0 % (33 of 33)	100.0 % (33 of 33)

1. lysm

MGTNTYYTVK SGDTLNKIAA QYGVSVANLR SWNGISGDLI FVGQKLIVKK GSHHHHHH

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Concentration
1	lysm	[U-100% 13C; U-100% 15N]	0.6 mM
2	potassium phosphate	natural abundance	40 mM
3	H2O	natural abundance	90 %
4	D2O	natural abundance	10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.03 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.03 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.05 ppm, Outliers: 2 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.25 ppm, Outliers: 4 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2MKX, Strand ID: A Detail

Release date

2014-06-11

Citation

Molecular basis for bacterial peptidoglycan recognition by LysM domains
Mesnage, S., Dellarole, M., Baxter, N.J., Rouget, J., Dimitrov, J.D., Wang, N., Fujimoto, Y., Hounslow, A.M., Lacroix-Desmazes, S., Fukase, K., Foster, S.J., Williamson, M.P.
Nat. Commun. (2014), 5, 4269-4269, PubMed 24978025 , DOI 10.1038/ncomms5269 , Abstract

Related entities 1. LysM the peptidoglycan binding domain of autolysin AtlA from Enterococcus faecalis, : 1 : 44 entities Detail

Interaction partners 1. LysM the peptidoglycan binding domain of autolysin AtlA from Enterococcus faecalis, : 2 interactors Detail

More details for 2 interactors identified by 1 citations