BMRB: 6343

Backbone and side chain 1H, 13C, and 15N chemical shift assignments of PA1324 (21-170): Northeast Structural Genomics Consortium Target PaP1

Authors

Cort, J.R., Kennedy, M.A., Ni, S.

Assembly

PA1324 (21-170)

Entity

1. PA1324 (21-170) (polymer, Thiol state: not present), 170 monomers, 18378.99 Da Detail

GSSHHHHHHS SGLVPRGSHM ASNPNDLPDF PEHEYAATQQ VGGGVINGDL YLTSASGAIQ KGTNTKVALE PATSYMKAYY AKFGNLDAAK RDPDVQPPVL DPRRATYVRE ATTDQNGRFD FDHIPNGTYY ISSELTWSAQ SDGKTITEGG TVTKLVTVSG SQPQKVLLTR

Formula weight

18378.99 Da

Source organism

Pseudomonas aeruginosa

Exptl. method

NMR

Refine. method

Molecular Dynamics and Simulated Annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.1 %, Completeness: 86.1 %, Completeness (bb): 91.8 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	86.1 % (1613 of 1873)	85.1 % (821 of 965)	86.4 % (633 of 733)	90.9 % (159 of 175)
Backbone	91.8 % (916 of 998)	91.0 % (314 of 345)	92.1 % (455 of 494)	92.5 % (147 of 159)
Sidechain	81.8 % (842 of 1029)	81.8 % (507 of 620)	82.2 % (323 of 393)	75.0 % (12 of 16)
Aromatic	40.1 % (61 of 152)	40.8 % (31 of 76)	38.7 % (29 of 75)	100.0 % (1 of 1)
Methyl	94.6 % (159 of 168)	94.0 % (79 of 84)	95.2 % (80 of 84)

1. PA1324 (21-170)

GSSHHHHHHS SGLVPRGSHM ASNPNDLPDF PEHEYAATQQ VGGGVINGDL YLTSASGAIQ KGTNTKVALE PATSYMKAYY AKFGNLDAAK RDPDVQPPVL DPRRATYVRE ATTDQNGRFD FDHIPNGTYY ISSELTWSAQ SDGKTITEGG TVTKLVTVSG SQPQKVLLTR

Show sample condition

Sample

Temperature 298 (±1) K, pH 6.8 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	PA1324 (21-170)	[U-100% C13; U-100% N15]		1 mM
2	NaCl			300 mM
3	BisTrisPropane			20 mM
4	D2O			10 %
5	H2O			90 %

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LACS Plot; CA

Referencing offset: -0.2 ppm, Outliers: 1 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	not applicable	0.0 ppm	external	indirect	0.0
1H	DSS	methyl protons	0.0 ppm	external	direct	1.0
15N	DSS	not applicable	0.0 ppm	external	indirect	0.0

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LACS Plot; CB

Referencing offset: -0.2 ppm, Outliers: 1 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	not applicable	0.0 ppm	external	indirect	0.0
1H	DSS	methyl protons	0.0 ppm	external	direct	1.0
15N	DSS	not applicable	0.0 ppm	external	indirect	0.0

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LACS Plot; HA

Referencing offset: -0.12 ppm, Outliers: 1 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	not applicable	0.0 ppm	external	indirect	0.0
1H	DSS	methyl protons	0.0 ppm	external	direct	1.0
15N	DSS	not applicable	0.0 ppm	external	indirect	0.0

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LACS Plot; CO

Referencing offset: 0.09 ppm, Outliers: 1 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	not applicable	0.0 ppm	external	indirect	0.0
1H	DSS	methyl protons	0.0 ppm	external	direct	1.0
15N	DSS	not applicable	0.0 ppm	external	indirect	0.0

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Protein Blocks Logo

Calculated from 20 models in PDB: 1XPN, Strand ID: A Detail

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Release date

2004-11-28

Citation

Chemical shift assignments of PA1324 (21-170)
Cort, J.R., Kennedy, M.A., Ni, S.

Related entities 1. PA1324 (21-170), : 1 : 1 entities Detail

Experiments performed 1 experiments Detail