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BMRB: 4285


4285
1K2H
1H, 13C and 15N NMR Sequence-Specific Resonance Assignments for Rat Apo-S100A1(aa).
Authors
Baldisseri, D.M., Rustandi, R.R., Zhong, Z., Tang, C., Bair, C.L., Landar, A., Landar, A., Zimmer, D.B., Weber, D.J.
Assembly
S100A dimer
Entity
1. S100A dimer (polymer), 94 monomers, 10559.71 × 2 Da Detail

MGSELETAME TLINVFHAHS GKEGDKYKLS KKELKDLLQT ELSSFLDVQK DADAVDKIMK ELDENGDGEV DFQEFVVLVA ALTVACNNFF WENS


Total weight
21119.42 Da
Max. entity weight
10559.71 Da
Source organism
Rattus norvegicus
Exptl. method
NMR
Refine. method
distance geometry,
Data set
assigned_chemical_shifts
Chem. Shift Complete1
Sequence coverage: 98.9 %, Completeness: 84.5 %, Completeness (bb): 84.0 % Detail
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Polymer type: polypeptide(L)

Total1H13C15N
All84.5 % (922 of 1091)91.6 % (515 of 562)72.5 % (309 of 426)95.1 % (98 of 103)
Backbone84.0 % (474 of 564)96.9 % (187 of 193)71.1 % (197 of 277)95.7 % (90 of 94)
Sidechain87.0 % (536 of 616)88.9 % (328 of 369)84.0 % (200 of 238)88.9 % (8 of 9)
Aromatic39.8 % (35 of 88)54.5 % (24 of 44)23.3 % (10 of 43)100.0 % (1 of 1)
Methyl99.1 % (105 of 106)98.1 % (52 of 53)100.0 % (53 of 53)

1. S100A

MGSELETAME TLINVFHAHS GKEGDKYKLS KKELKDLLQT ELSSFLDVQK DADAVDKIMK ELDENGDGEV DFQEFVVLVA ALTVACNNFF WENS

Show sample condition
Sample #1

Temperature 310 (±0.05) K, pH 6.5 (±0.1)


#NameIsotope labelingTypeConcentration
1S100A[U-99% 15N]1.8 mM
Sample #2

Temperature 310 (±0.05) K, pH 6.5 (±0.1)


#NameIsotope labelingTypeConcentration
2S100A[U-98% 13C; U-99% 15N]2.0 mM

Chem. Shift Complete2
Sequence coverage: 27.7 %, Completeness: 51.6 %, Completeness (bb): 52.7 % Detail
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Polymer type: polypeptide(L)

Total1H13C15N
All51.6 % (1126 of 2182)55.6 % (625 of 1124)44.4 % (378 of 852)59.7 % (123 of 206)
Backbone52.7 % (595 of 1128)60.4 % (233 of 386)44.8 % (248 of 554)60.6 % (114 of 188)
Sidechain51.9 % (640 of 1232)53.1 % (392 of 738)50.2 % (239 of 476)50.0 % (9 of 18)
Aromatic22.2 % (39 of 176)29.5 % (26 of 88)14.0 % (12 of 86)50.0 % (1 of 2)
Methyl57.1 % (121 of 212)56.6 % (60 of 106)57.5 % (61 of 106)

1. S100A

MGSELETAME TLINVFHAHS GKEGDKYKLS KKELKDLLQT ELSSFLDVQK DADAVDKIMK ELDENGDGEV DFQEFVVLVA ALTVACNNFF WENS

Show sample condition
Sample #1

Temperature 310 (±0.05) K, pH 6.5 (±0.1)


#NameIsotope labelingTypeConcentration
1S100A[U-99% 15N]1.8 mM
Sample #2

Temperature 310 (±0.05) K, pH 6.5 (±0.1)


#NameIsotope labelingTypeConcentration
2S100A[U-98% 13C; U-99% 15N]2.0 mM

Chem. Shift Complete3
Sequence coverage: 23.4 %, Completeness: 40.1 %, Completeness (bb): 41.6 % Detail
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Polymer type: polypeptide(L)

Total1H13C15N
All40.1 % (1313 of 3273)42.5 % (717 of 1686)35.4 % (452 of 1278)46.6 % (144 of 309)
Backbone41.6 % (704 of 1692)46.5 % (269 of 579)36.1 % (300 of 831)47.9 % (135 of 282)
Sidechain39.8 % (736 of 1848)40.5 % (448 of 1107)39.1 % (279 of 714)33.3 % (9 of 27)
Aromatic19.3 % (51 of 264)25.8 % (34 of 132)12.4 % (16 of 129)33.3 % (1 of 3)
Methyl44.7 % (142 of 318)44.0 % (70 of 159)45.3 % (72 of 159)

1. S100A

MGSELETAME TLINVFHAHS GKEGDKYKLS KKELKDLLQT ELSSFLDVQK DADAVDKIMK ELDENGDGEV DFQEFVVLVA ALTVACNNFF WENS

Show sample condition
Sample #1

Temperature 310 (±0.05) K, pH 6.5 (±0.1)


#NameIsotope labelingTypeConcentration
1S100A[U-99% 15N]1.8 mM
Sample #2

Temperature 310 (±0.05) K, pH 6.5 (±0.1)


#NameIsotope labelingTypeConcentration
2S100A[U-98% 13C; U-99% 15N]2.0 mM

Protein Blocks Logo
Calculated from 20 models in PDB: 1K2H, Strand ID: A, B Detail

Release date
1999-09-30
Citation
1H, 13C and 15N NMR Sequence-Specific Resonance Assignments for Rat Apo-S100A1(aa)
Baldisseri, D.M., Rustandi, R.R., Zhong, Z., Tang, C., Bair, C.L., Landar, A., Landar, A., Zimmer, D.B., Weber, D.J.
J. Biomol. NMR (1999), 14, 91-92, PubMed
Related entities 1. S100A dimer, : 1 : 2 : 3 : 268 entities Detail
More details for 274 related entities
Interaction partners 1. S100A dimer, : 4 interactors Detail
More details for 4 interactors identified by 1 citations
nullKeywords heteronuclear NMR, S100A, S100 protein, sequence-specific assignments