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1H, 13C, 15N Chemical Shift Assignments and 15N Relaxation Data for Transmembrane Domain of BNIP3
Authors
Pustovalova, J.E., Bocharov, E.V., Maslennikov, I.V., Ermolyuk, Y.S., Goncharuk, M.V., Arseniev, A.S.
Assembly
BNIP3 TM dimer
Entity
1. BNIP3 TM dimer (polymer, Thiol state: not present), 45 monomers, 4919.874 × 2 Da Detail

RNTSVMKKGG IFSAEFLKVF LPSLLLSHLL AIGLGIYIGR RLTTS


Total weight
9839.748 Da
Max. entity weight
4919.874 Da
Source organism
Homo sapiens
Exptl. method
NMR
Refine. method
TAD
Data set
assigned_chemical_shifts, heteronucl_NOEs, heteronucl_T1_relaxation, heteronucl_T2_relaxation, H_exch_rates
Chem. Shift Complete
Sequence coverage: 100.0 %, Completeness: 76.9 %, Completeness (bb): 78.7 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All76.9 % (415 of 540)91.4 % (254 of 278)54.4 % (118 of 217)95.6 % (43 of 45)
Backbone78.7 % (211 of 268)93.6 % (88 of 94)62.3 % (81 of 130)95.5 % (42 of 44)
Sidechain76.6 % (239 of 312)90.2 % (166 of 184)56.7 % (72 of 127)100.0 % (1 of 1)
Aromatic61.9 % (26 of 42)100.0 % (21 of 21)23.8 % (5 of 21)
Methyl68.6 % (48 of 70)88.6 % (31 of 35)48.6 % (17 of 35)

1. BNIP3 TM

RNTSVMKKGG IFSAEFLKVF LPSLLLSHLL AIGLGIYIGR RLTTS

Sample #1

Temperature 313 (±2) K, pH 5.10 (±0.05), Details peptide in lipid bicelles (DHPC/DMPC)


#NameIsotope labelingTypeConcentration
1BNIP3 TM[U-95% 13C; U-95% 15N]protein1.38 (±0.02) mM
2DHPClipid44.13 (±0.02) mM
3DMPClipid11.03 (±0.02) mM
4Acetic bufferbuffer20 mM
5NaN3antimicrobial agent1.5 mM
6EDTAchelating agent1 mM
Sample #2

Temperature 313 (±2) K, pH 5.10 (±0.05), Details peptide in lipid bicelles (DHPC/DMPC)


#NameIsotope labelingTypeConcentration
7BNIP3 TM[U-95% 15N]protein1.38 (±0.02) mM
8DHPClipid44.13 (±0.02) mM
9DMPClipid11.03 (±0.02) mM
10Acetic bufferbuffer20 mM
11NaN3antimicrobial agent1.5 mM
12EDTAchelating agent1 mM

Protein Blocks Logo
Calculated from 16 models in PDB: 2J5D, Strand ID: A, B Detail


Heteronucl. T1
38 T1 values in 1 lists
Coherence Sz, Field strength (1H) 600 MHz, Temperature 313 (±2) K, pH 5.10 (±0.05) Detail
Heteronucl. T2
38 T2 values in 1 lists
Coherence S(+,-), Field strength (1H) 600 MHz, Temperature 313 (±2) K, pH 5.10 (±0.05) Detail
Heteronucl. NOE
38 NOE values in 1 lists
Value type na, Field strength (1H) 600 MHz, Temperature 313 (±2) K, pH 5.10 (±0.05) Detail
Heteronucl. T1/T2
38 T1/T2 values in 1 lists
Field strength (1H) 600 MHz, Temperature 313 (±2) K, pH 5.10 (±0.05) Detail
1H exchange rate
44 kex values in 1 lists
Temperature 313 (±2) K, pH 5.10 (±0.05) Detail
Release date
2007-05-09
Citation
Unique dimeric structure of BNip3 transmembrane domain suggests membrane permeabilization as a cell death trigger
Bocharov, E.V., Pustovalova, Y.E., Pavlov, K.V., Volynsky, P.E., Goncharuk, M.V., Ermolyuk, Y.S., Karpunin, D.V., Schulga, A.A., Kirpichnikov, M.P., Efremov, R.G., Maslennikov, I.V., Arseniev, A.S.
J. Biol. Chem. (2007), 282, 16256-16266, PubMed 17412696 , DOI 10.1074/jbc.M701745200 ,
Related entities 1. BNIP3 TM dimer, : 1 : 3 : 3 : 10 entities Detail
Interaction partners 1. BNIP3 TM dimer, : 12 interactors Detail
Experiments performed 5 experiments Detail
nullKeywords apoptotic, BNIP3, apoptosis, dynamics, structure