BMRB: 7425

Solution structure of CaM complexed to DAPk peptide

Authors

Bertini, I., Luchinat, C., Parigi, G., Yuan, J.

Assembly

calmodulin

Entity

1. calmodulin (polymer, Thiol state: not present), 148 monomers, 16707.20 Da Detail

ADQLTEEQIA EFKEAFSLFD KDGDGTITTK ELGTVMRSLG QNPTEAELQD MINEVDADGD GTIDFPEFLT MMARKMKDTD SEEEIREAFR VFDKDGNGYI SAAELRHVMT NLGEKLTDEE VDEMIREADI DGDGQVNYEE FVQMMTAK

2. CA (non-polymer), 40.078 × 3 Da
3. TM (non-polymer), na Da

Total weight

16827.434 Da

Max. entity weight

16707.2 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, RDCs

Chem. Shift Complete

Sequence coverage: 79.1 %, Completeness: 30.9 %, Completeness (bb): 54.1 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	30.9 % (515 of 1667)	18.0 % (156 of 865)	37.4 % (241 of 645)	75.2 % (118 of 157)
Backbone	54.1 % (478 of 884)	41.3 % (126 of 305)	54.3 % (235 of 433)	80.1 % (117 of 146)
Sidechain	5.4 % (50 of 920)	5.4 % (30 of 560)	5.4 % (19 of 349)	9.1 % (1 of 11)
Aromatic	4.0 % (4 of 100)	8.0 % (4 of 50)	0.0 % (0 of 50)
Methyl	4.9 % (7 of 142)	4.2 % (3 of 71)	5.6 % (4 of 71)

1. calmodulin

ADQLTEEQIA EFKEAFSLFD KDGDGTITTK ELGTVMRSLG QNPTEAELQD MINEVDADGD GTIDFPEFLT MMARKMKDTD SEEEIREAFR VFDKDGNGYI SAAELRHVMT NLGEKLTDEE VDEMIREADI DGDGQVNYEE FVQMMTAK

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	calmodulin	[U-100% 13C; U-100% 15N]		0.4 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
2	calmodulin	[U-100% 15N]		0.4 mM

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Protein Blocks Logo

Calculated from 1 models in PDB: 2K61, Strand ID: A Detail

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RDC

107 RDC values in 1 lists
Field strength (¹H) 700.13 MHz, Pressure 1 atm, Temperature 298 K, pH 7.5 Detail

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Pressure 1 atm, Temperature 298 K, pH 7.5

Experiment name IPAP, 2D 1H-15N HSQC

List #1 3CaTmCaM_DAPk_rdc, RDC code na, Field strength (¹H) 700.13 MHz

Release date

2009-04-03

Citation

Accurate solution structures of proteins from X-ray data and a minimal set of NMR data: calmodulin-peptide complexes as examples
Bertini, I., Kursula, P., Luchinat, C., Parigi, G., Vahokoski, J., Wilmanns, M., Yuan, J.
J. Am. Chem. Soc. (2009), 131, 5134-5144, PubMed 19317469 , DOI 10.1021/ja8080764 , Abstract

Entries sharing articles BMRB: 7 entries Detail

Related entities 1. calmodulin, : 1 : 2 : 115 : 181 entities Detail

Interaction partners 1. calmodulin, : 1 interactors Detail

Experiments performed 7 experiments Detail