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BMRB: 25137

2MSW

Ligand-induced folding of a receiver domain

Authors

Ocasio, V.J., Correa, F., Gardner, K.H.

Assembly

EL LovR

Entity

1. EL LovR (polymer, Thiol state: all free), 125 monomers, 13244.12 Da Detail

GAMGMPKVLV LEDEPLIAMN LQYAFEDEGA EVVVAATCEQ ALKSLADNPI DVAVLDVNLG PKSHCGPVAD ALKQRAIPFI LHTGDLDRHG ELLRKIDAPV MAKPADTSDV AKRALEMCGG DKEPA

2. BERYLLIUM TRIFLUORIDE ION (non-polymer), 66.007 Da
3. MAGNESIUM ION (non-polymer), 24.305 Da

Total weight

13334.432 Da

Max. entity weight

13244.12 Da

Source organism

Erythrobacter litoralis HTCC2594

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 98.8 %, Completeness (bb): 98.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	98.8 % (1352 of 1369)	98.9 % (699 of 707)	98.5 % (532 of 540)	99.2 % (121 of 122)
Backbone	98.4 % (720 of 732)	98.8 % (247 of 250)	97.8 % (358 of 366)	99.1 % (115 of 116)
Sidechain	99.3 % (748 of 753)	98.9 % (452 of 457)	100.0 % (290 of 290)	100.0 % (6 of 6)
Aromatic	100.0 % (40 of 40)	100.0 % (20 of 20)	100.0 % (20 of 20)
Methyl	100.0 % (162 of 162)	100.0 % (81 of 81)	100.0 % (81 of 81)

1. EL LovR

GAMGMPKVLV LEDEPLIAMN LQYAFEDEGA EVVVAATCEQ ALKSLADNPI DVAVLDVNLG PKSHCGPVAD ALKQRAIPFI LHTGDLDRHG ELLRKIDAPV MAKPADTSDV AKRALEMCGG DKEPA

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.5

#	Name	Isotope labeling	Concentration
1	sodium azide	natural abundance	3 mM
2	DTT	natural abundance	1 mM
3	HEPES	natural abundance	20 mM
4	AEBSF protease inhibitor	natural abundance	1.8 mg/mL
5	D2O	natural abundance	10 %
6	EL_LovR	[U-100% 13C; U-100% 15N]	500 uM
7	Beryllium fluoride	natural abundance	15 mM
8	Magnesium Chloride	natural abundance	10 mM
9	H2O	natural abundance	90 %

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: -0.2 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: -0.2 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: -0.07 ppm, Outliers: 3 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: 0.21 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2016-06-29

Citation

Ligand-induced folding of a two-component signaling receiver domain
Ocasio, V.J., Correa, F., Gardner, K.H.
Biochemistry (2015), 54, 1353-1363, PubMed 25629646 , DOI 10.1021/bi501143b , Abstract

Related entities 1. EL LovR, : 1 : 28 entities Detail

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC