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Solution-state NMR structures of apo-LFABP (Liver Fatty Acid-Binding Protein)
Authors
He, Y., Yang, X., Wang, H., Estephan, R., Francis, F., Kodukula, S., Storch, J., Stark, R.E.
Assembly
LFABP-apo
Entity
1. LFABP-apo (polymer, Thiol state: not reported), 127 monomers, 14272.36 Da Detail

MNFSGKYQVQ SQENFEPFMK AMGLPEDLIQ KGKDIKGVSE IVHEGKKVKL TITYGSKVIH NEFTLGEECE LETMTGEKVK AVVKMEGDNK MVTTFKGIKS VTEFNGDTIT NTMTLGDIVY KRVSKRI


Formula weight
14272.36 Da
Source organism
Rattus norvegicus
Exptl. method
solution NMR
Refine. method
simulated annealing, torsion angle dynamics
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 99.2 %, Completeness: 90.3 %, Completeness (bb): 97.9 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All90.3 % (1364 of 1511)85.7 % (677 of 790)96.1 % (563 of 586)91.9 % (124 of 135)
Backbone97.9 % (742 of 758)97.0 % (256 of 264)98.1 % (362 of 369)99.2 % (124 of 125)
Sidechain84.8 % (736 of 868)80.0 % (421 of 526)94.9 % (315 of 332) 0.0 % (0 of 10)
Aromatic89.1 % (82 of 92)89.1 % (41 of 46)89.1 % (41 of 46)
Methyl95.6 % (130 of 136)95.6 % (65 of 68)95.6 % (65 of 68)

1. LFABP-apo

MNFSGKYQVQ SQENFEPFMK AMGLPEDLIQ KGKDIKGVSE IVHEGKKVKL TITYGSKVIH NEFTLGEECE LETMTGEKVK AVVKMEGDNK MVTTFKGIKS VTEFNGDTIT NTMTLGDIVY KRVSKRI

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6, Details C13, N15-labeled apo-LFABP, pH6


#NameIsotope labelingTypeConcentration
1entity[U-99% 13C; U-99% 15N]0.5 ~ 1.3 mM
2sodium phosphatenatural abundance50 mM
3sodium azidenatural abundance0.02 %
4EDTAnatural abundance5 uM
5D2O5 %
6H2Onatural abundance95 %
Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 6, Details C13, N15-labeled apo-LFABP, pD6


#NameIsotope labelingTypeConcentration
7entity[U-99% 13C; U-99% 15N]0.5 ~ 1.3 mM
8sodium phosphatenatural abundance50 mM
9sodium azidenatural abundance0.02 %
10EDTAnatural abundance5 uM
11D2O98 %
Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6, Details N15-labeled apo-LFABP, pH6


#NameIsotope labelingTypeConcentration
12entity[U-99% 15N]0.5 ~ 1.3 mM
13sodium phosphatenatural abundance50 mM
14sodium azidenatural abundance0.02 %
15EDTAnatural abundance5 uM
16D2O5 %
17D2O95 %
Sample #4

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6, Details N15-labeled apo-LFABP, with C12/E5 alignment media


#NameIsotope labelingTypeConcentration
18entity[U-99% 15N]0.3 mM
19sodium phosphatenatural abundance50 mM
20sodium azidenatural abundance0.02 %
21EDTAnatural abundance5 uM
22D2O5 %
23D2O95 %
24C12E5natural abundance5 %

LACS Plot; CA
Referencing offset: -0.11 ppm, Outliers: 2 Detail
LACS Plot; CB
Referencing offset: -0.11 ppm, Outliers: 2 Detail
LACS Plot; HA
Referencing offset: -0.19 ppm, Outliers: 2 Detail
LACS Plot; CO
Referencing offset: 0.38 ppm, Outliers: 1 Detail
Protein Blocks Logo
Calculated from 10 models in PDB: 2JU3, Strand ID: A Detail


Release date
2008-03-13
Citation
Solution-state molecular structure of apo and oleate-liganded liver fatty acid-binding protein
He, Y., Yang, X., Wang, H., Estephan, R., Francis, F., Kodukula, S., Storch, J., Stark, R.E.
Biochemistry (2007), 46, 12543-12556, PubMed 17927211 , DOI 10.1021/bi701092r ,
Related entities 1. LFABP-apo, : 1 : 4 : 1 : 217 entities Detail
Interaction partners 1. LFABP-apo, : 2 interactors Detail
Experiments performed 20 experiments Detail
NMR combined restraints 5 contents Detail
Keywords apo, FABP, iLBP, LFABP, protein