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BMRB: 18468

2LTE

Solution NMR structure of the specialized acyl carrier protein PA3334 (apo) from Pseudomonas aeruginosa. Northeast Structural Genomics Consortium Target PaT415.

Authors

Ramelot, T.A., Cort, J.R., Yang, Y., Garcia, M., Yee, A., Arrowsmith, C.H., Kennedy, M.A.

Assembly

PaT415

Entity

1. PaT415 (polymer, Thiol state: not present), 103 monomers, 11556.67 Da Detail

MGSSHDHHHH SSGRENLYFQ GHMPNDMEDH LLTVLSVASG VPKEEISRDS RMEDLAFDSL VVSELSLKLR KEFGVTGVDD ELDLLETVDE LFQLVEKHRA AGS

Formula weight

11556.67 Da

Source organism

Hydrogenophilus thermoluteolus

Exptl. method

solution NMR

Refine. method

simulated annealing, refinement in explicit water

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 87.4 %, Completeness: 81.4 %, Completeness (bb): 80.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	81.4 % (941 of 1156)	81.0 % (483 of 596)	82.6 % (376 of 455)	78.1 % (82 of 105)
Backbone	80.6 % (495 of 614)	79.1 % (167 of 211)	82.1 % (248 of 302)	79.2 % (80 of 101)
Sidechain	82.9 % (529 of 638)	82.1 % (316 of 385)	84.7 % (211 of 249)	50.0 % (2 of 4)
Aromatic	50.0 % (40 of 80)	50.0 % (20 of 40)	50.0 % (20 of 40)
Methyl	98.2 % (108 of 110)	96.4 % (53 of 55)	100.0 % (55 of 55)

1. PaT415

MGSSHDHHHH SSGRENLYFQ GHMPNDMEDH LLTVLSVASG VPKEEISRDS RMEDLAFDSL VVSELSLKLR KEFGVTGVDD ELDLLETVDE LFQLVEKHRA AGS

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.7

#	Name	Isotope labeling	Concentration
1	PaT415	[U-100% 13C; U-100% 15N]	1.0 mM
2	TRIS	natural abundance	10 mM
3	sodium chloride	natural abundance	450 mM
4	DTT	natural abundance	10 mM
5	zinc chloride	natural abundance	0.01 mM
6	sodium azide	natural abundance	0.01 %
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %

LACS Plot; CA

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

Referencing offset: -0.18 ppm, Outliers: 3 Detail

LACS Plot; CB

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

Referencing offset: -0.18 ppm, Outliers: 3 Detail

LACS Plot; HA

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

Referencing offset: -0.01 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: -0.59 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2012-05-24

Citation

Solution NMR structure of the specialized acyl carrier protein PA3334 (apo) from Pseudomonas aeruginosa. Northeast Structural Genomics Consortium Target PaT415
Ramelot, T.A., Cort, J.R., Yang, Y., Garcia, M., Yee, A., Arrowsmith, C.H., Kennedy, M.A.
Not known