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BMRB: 19893

2MNI

Chemical Shift Assignments and structure of Q4D059, a hypothetical protein from Trypanosoma cruzi

Authors

Lopez, A., Pires, J.

Assembly

Q4D059, a hypothetical protein from Trypanosoma cruzi

Entity

1. Q4D059, a hypothetical protein from Trypanosoma cruzi (polymer, Thiol state: all free), 92 monomers, 10413.83 Da Detail

GSAMGHMPAV DVEIHFPLKR IAAEGYAEDE LLLNQMGKVN DTPEEEGMPL RAWVIKCAHE ALEKNPKIRE VYLKPRAVKN SSVQFHVIFD EE

Formula weight

10413.83 Da

Source organism

Trypanosoma cruzi

Exptl. method

solution NMR

Refine. method

simulated annealing, torsion angle dynamics, water refinement

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.6 %, Completeness: 81.2 %, Completeness (bb): 88.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	81.2 % (879 of 1083)	79.0 % (448 of 567)	81.6 % (345 of 423)	92.5 % (86 of 93)
Backbone	88.9 % (480 of 540)	88.5 % (162 of 183)	88.2 % (239 of 271)	91.9 % (79 of 86)
Sidechain	76.2 % (480 of 630)	74.5 % (286 of 384)	78.2 % (187 of 239)	100.0 % (7 of 7)
Aromatic	62.2 % (46 of 74)	62.2 % (23 of 37)	61.1 % (22 of 36)	100.0 % (1 of 1)
Methyl	85.0 % (85 of 100)	84.0 % (42 of 50)	86.0 % (43 of 50)

1. HP Q4D059

GSAMGHMPAV DVEIHFPLKR IAAEGYAEDE LLLNQMGKVN DTPEEEGMPL RAWVIKCAHE ALEKNPKIRE VYLKPRAVKN SSVQFHVIFD EE

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	HP_Q4D059	[U-100% 15N]	0.5 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM
4	H2O	natural abundance	90 %
5	D2O	[U-100% 2H]	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
6	HP_Q4D059	[U-100% 13C; U-100% 15N]	0.3 mM
7	sodium phosphate	natural abundance	20 mM
8	sodium chloride	natural abundance	50 mM
9	H2O	natural abundance	90 %
10	D2O	[U-100% 2H]	10 %

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
11	HP_Q4D059	natural abundance	0.5 mM
12	sodium phosphate	natural abundance	20 mM
13	sodium chloride	natural abundance	50 mM
14	H2O	natural abundance	90 %
15	D2O	[U-100% 2H]	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: -0.72 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: -0.72 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: -0.01 ppm, Outliers: 7 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: -0.35 ppm, Outliers: 3 Detail

Protein Blocks Logo

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

Release date

2015-03-15

Citation

1H, 15N and 13C resonance assignments and secondary structure prediction of Q4D059, a conserved and specific hypothetical protein from Trypanosoma cruzi
Lopez, A., Pires, J.
Biomol. NMR Assignments

Related entities 1. Q4D059, a hypothetical protein from Trypanosoma cruzi, : 1 : 1 : 4 entities Detail

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC