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BMRB: 19235

2M89

Solution structure of the Aha1 dimer from Colwellia psychrerythraea

Authors

Rossi, P., Sgourakis, N.G., Shi, L., Liu, G., Barbieri, C.M., Lee, H., Grant, T.D., Luft, J.R., Xiao, R., Acton, T.B., Montelione, G.T., Snell, E.H., Baker, D., Lange, O.A.

Assembly

Aha1 dimer from Colwellia psychrerythraea

Entity

1. Aha1 dimer from Colwellia psychrerythraea (polymer, Thiol state: unknown), 154 monomers, 17546.60 × 2 Da Detail

MVNINHRIGI KASPEKIYQA LTTDDGLKKW WTNDISGAGV VGSTIKFRFN GGGPDFKVTK LIPNKTVCWQ HAGNMPESWM GTEISFQLET VENQTFVRFT HSNWHETTDF MAHCNTKWAV FLLSLKDALE IGKGTPFPND IQIDHSLEHH HHHH

Total weight

35093.2 Da

Max. entity weight

17546.6 Da

Source organism

Colwellia psychrerythraea

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.1 %, Completeness: 84.4 %, Completeness (bb): 91.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	84.4 % (1540 of 1825)	84.0 % (790 of 941)	85.2 % (609 of 715)	83.4 % (141 of 169)
Backbone	91.0 % (830 of 912)	91.1 % (286 of 314)	90.9 % (409 of 450)	91.2 % (135 of 148)
Sidechain	79.6 % (840 of 1055)	80.4 % (504 of 627)	81.1 % (330 of 407)	28.6 % (6 of 21)
Aromatic	53.7 % (117 of 218)	58.7 % (64 of 109)	46.6 % (48 of 103)	83.3 % (5 of 6)
Methyl	96.1 % (148 of 154)	94.8 % (73 of 77)	97.4 % (75 of 77)

1. entity

MVNINHRIGI KASPEKIYQA LTTDDGLKKW WTNDISGAGV VGSTIKFRFN GGGPDFKVTK LIPNKTVCWQ HAGNMPESWM GTEISFQLET VENQTFVRFT HSNWHETTDF MAHCNTKWAV FLLSLKDALE IGKGTPFPND IQIDHSLEHH HHHH

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.5, Details 10 mM TRIS-HCl, 100 mM NaCl, 5 mM DTT, 50uM DSS, 10% 2H2O at pH 7.5

#	Name	Isotope labeling	Concentration
1	entity	[U-100% 13C; U-100% 15N]	1.3 mM
2	TRIS-HCl	natural abundance	10 mM
3	NaCl	natural abundance	100 mM
4	DTT	natural abundance	5 mM
5	DSS	natural abundance	50 uM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.5, Details 10 mM TRIS-HCl, 100 mM NaCl, 5 mM DTT, 50uM DSS, 10% 2H2O at pH 7.5

#	Name	Isotope labeling	Concentration
6	entity	[U-2H,13C,15N]; Ile 1-[13CH3]; Leu,Val-[13CH3]	0.7 mM
7	TRIS-HCl	natural abundance	10 mM
8	NaCl	natural abundance	100 mM
9	DTT	natural abundance	5 mM
10	DSS	natural abundance	50 uM

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.5, Details 10 mM TRIS-HCl, 100 mM NaCl, 5 mM DTT, 50uM DSS, 10% 2H2O at pH 7.5

#	Name	Isotope labeling	Concentration
11	entity	[U-5%-13C,100%-15N]	1.1 mM
12	TRIS-HCl	natural abundance	10 mM
13	NaCl	natural abundance	100 mM
14	DTT	natural abundance	5 mM
15	DSS	natural abundance	50 uM

Sample #4

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.5, Details 10 mM TRIS-HCl, 100 mM NaCl, 5 mM DTT, 50uM DSS, 10% 2H2O at pH 7.5

#	Name	Isotope labeling	Concentration
16	entity	[U-5%-13C,100%-15N]	1.1 mM
17	Pf1 phage	natural abundance	12.5 mg/mL
18	TRIS-HCl	natural abundance	10 mM
19	NaCl	natural abundance	100 mM
20	DTT	natural abundance	5 mM
21	DSS	natural abundance	50 uM

Sample #5

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.5, Details 10 mM TRIS-HCl, 100 mM NaCl, 5 mM DTT, 50uM DSS, 10% 2H2O at pH 7.5

#	Name	Isotope labeling	Concentration
22	entity	[U-5%-13C,100%-15N]	1.1 mM
23	PEG(C5E12)	natural abundance	4.0 %
24	TRIS-HCl	natural abundance	10 mM
25	NaCl	natural abundance	100 mM
26	DTT	natural abundance	5 mM
27	DSS	natural abundance	50 uM

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: 0.25 ppm, Outliers: 2 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: 0.25 ppm, Outliers: 2 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: -0.13 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: -0.88 ppm, Outliers: 5 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2M89, Strand ID: A, B Detail

Release date

2013-09-02

Citation

Discriminating the Symmetric Dimer Interface of the 33kDa Aha1 Domain by combining NMR and SAXS data in a hybrid method
Rossi, P., Sgourakis, N.G., Shi, L., Liu, G., Barbieri, C.M., Lee, H., Grant, T.D., Luft, J.R., Xiao, R., Acton, T.B., Montelione, G.T., Snell, E.H., Baker, D., Lange, O.A.
Not known