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1H Chemical Shifts for the Apo State of the F36G + P43M Mutant of Calbindin D9k
Authors
Nelson, M.R., Thulin, E., Fagan, P.A., Forsen, S., Chazin, W.J.
Assembly
CALBINDIN D9K
Entity
1. CALBINDIN D9K (polymer, Thiol state: not present), 76 monomers, 8575.627 Da Detail

MKSPEELKGI FEKYAAKEGD PNQLSKEELK LLLQTEGPSL LKGMSTLDEL FEELDKNGDG EVSFEEFQVL VKKISQ


Formula weight
8575.627 Da
Source organism
Bos taurus
Exptl. method
NMR
Refine. method
distance geometry, simulated annealing
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 100.0 %, Completeness: 90.5 %, Completeness (bb): 97.4 % Detail

Polymer type: polypeptide(L)

Total1H
All90.5 % (440 of 486)90.5 % (440 of 486)
Backbone97.4 % (151 of 155)97.4 % (151 of 155)
Sidechain87.3 % (289 of 331)87.3 % (289 of 331)
Aromatic54.2 % (13 of 24)54.2 % (13 of 24)
Methyl100.0 % (38 of 38)100.0 % (38 of 38)

1. CALBINDIN D9K

MKSPEELKGI FEKYAAKEGD PNQLSKEELK LLLQTEGPSL LKGMSTLDEL FEELDKNGDG EVSFEEFQVL VKKISQ

Sample

Pressure 1 atm, Temperature 300 (±1) K, pH 6.0 (±0.2)


#NameIsotope labelingTypeConcentration
1CALBINDIN D9K2.5 mM
2H2O100 %

Protein Blocks Logo
Calculated from 22 models in PDB: 1KCY, Strand ID: A Detail


Release date
2002-02-13
Citation 1
The EF-hand domain: a globally cooperative structural unit
Nelson, M.R., Thulin, E., Fagan, P.A., Forsen, S., Chazin, W.J.
Protein Sci. (2002), 11, 198-205, PubMed 11790829 , DOI 10.1110/ps.33302 ,
Citation 2
Improved efficiency of protein structure calculations from NMR data using the program DIANA with redundant dihedral angle constraints
Guntert, P., Wuthrich, K.
J. Biomol. NMR (1991), 1, 447-456, PubMed 1841711 , DOI 10.1007/bf02192866 ,
Citation 3
Efficient computation of three-dimensional protein structures in solution from nuclear magnetic resonance data using the program DIANA and the supporting programs CALIBA, HABAS and GLOMSA
Guntert, P., Braun, W., Wuthrich, K.
J. Mol. Biol. (1991), 217, 517-530, PubMed 1847217 , DOI 10.1016/0022-2836(91)90754-t ,
Citation 4
Distinguishing Biomolecular Pathways and Metastable States
J. Chem. Theory Comput. (2019), 15, 6482-6490, PubMed 31618581 , DOI 10.1021/acs.jctc.9b00704 ,
Entries sharing articles BMRB: 2 entries Detail
  BMRB: 4820 released on 2001-01-28
    Title 1H and 13Ca Chemical Shift Assignments for the Pheromone Er-22
  BMRB: 4917 released on 2001-01-08
    Title Solution structure of a lipid transfer protein extracted from rice seeds. Comparison with homologous proteins
Related entities 1. CALBINDIN D9K, : 1 : 17 : 282 entities Detail
Experiments performed 8 experiments Detail
nullKeywords calcium-binding, EF-hand, four helix bundle, protein, structure perturbing mutation