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BMRB: 25026

2MQB

NMR structure of putative beta-lactamase (NP_372339.1) from Staphylococcus aureus Mu50

Authors

Dutta, S.K., Serrano, P., Geralt, M., Wuthrich, K.

Assembly

NMR structure of putative beta-lactamase (NP 372339.1) from Staphylococcus aureus Mu50

Entity

1. NMR structure of putative beta-lactamase (NP 372339.1) from Staphylococcus aureus Mu50 (polymer, Thiol state: all free), 152 monomers, 16587.98 Da Detail

GEEKMTNGQL WKKVKDSLID SNIISGNENE EITVTYVNKT GYSSSVSAYG NNNDDFSSTP SNFSKLKEID LKKDNVPSDD FNTTVSGEDS WKTLTSKLKE KGLVTDGQTV TIHCNDKSDN TKSSVSGKVG ADLTSGNGTT FKKRFIDKIT ID

Formula weight

16587.98 Da

Source organism

Staphylococcus aureus subsp. aureus Mu50

Exptl. method

solution NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 89.5 %, Completeness (bb): 84.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	89.5 % (1531 of 1710)	97.2 % (861 of 886)	77.1 % (506 of 656)	97.6 % (164 of 168)
Backbone	84.3 % (765 of 908)	98.4 % (309 of 314)	69.8 % (310 of 444)	97.3 % (146 of 150)
Sidechain	96.2 % (906 of 942)	96.5 % (552 of 572)	95.5 % (336 of 352)	100.0 % (18 of 18)
Aromatic	82.4 % (84 of 102)	88.2 % (45 of 51)	75.5 % (37 of 49)	100.0 % (2 of 2)
Methyl	100.0 % (146 of 146)	100.0 % (73 of 73)	100.0 % (73 of 73)

1. entity

GEEKMTNGQL WKKVKDSLID SNIISGNENE EITVTYVNKT GYSSSVSAYG NNNDDFSSTP SNFSKLKEID LKKDNVPSDD FNTTVSGEDS WKTLTSKLKE KGLVTDGQTV TIHCNDKSDN TKSSVSGKVG ADLTSGNGTT FKKRFIDKIT ID

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 308 K, pH 6.0

#	Name	Isotope labeling	Concentration
1	entity	[U-99% 13C; U-98% 15N]	1.2 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM
4	sodium azide	natural abundance	5 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

LACS Plot; CA

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

Referencing offset: 2.33 ppm, Outliers: 3 Detail

LACS Plot; CB

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

Referencing offset: 2.33 ppm, Outliers: 3 Detail

LACS Plot; HA

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

Referencing offset: 0.0 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2MQB, Strand ID: A Detail

Release date

2014-09-01

Citation

NMR structure of putative beta-lactamase (NP_372339.1) from Staphylococcus aureus Mu50
Dutta, S.K., Serrano, P., Geralt, M., Wuthrich, K.
Not known

Related entities 1. NMR structure of putative beta-lactamase (NP 372339.1) from Staphylococcus aureus Mu50, : 1 : 3 entities Detail

Experiments performed 7 experiments Detail

1 APSY 4D-HACANH