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BMRB: 4284

2KNE

NMR Solution Structure of a Complex of Calmodulin with a Binding Peptide of the Ca2+-Pump

Authors

Elshorst, B., Hennig, M., Foersterling, H., Diener, A., Maurer, M., Schulte, P., Schwalbe, H., Griesinger, C., Krebs, J., Schmid, H., Vorherr, T., Carafoli, E.

Assembly

Calmodulin-Ca2+-Pump-Peptide Complex

Entity

1. Calmodulin (polymer), 148 monomers, 16706.21 Da Detail

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

2. C20W peptide (polymer), 20 monomers, 2496.956 Da Detail

LRRGQILWFR GLNRIQTQIK

3. CALCIUM ION (non-polymer), 40.078 Da

Total weight

19243.246 Da

Max. entity weight

16706.21 Da

Source organism

Xenopus laevis

Exptl. method

NMR

Refine. method

SIMULATED ANNEALING

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 88.1 %, Completeness: 75.2 %, Completeness (bb): 84.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	75.2 % (1462 of 1943)	74.7 % (757 of 1014)	75.2 % (561 of 746)	78.7 % (144 of 183)
Backbone	84.7 % (850 of 1004)	85.3 % (296 of 347)	84.5 % (415 of 491)	83.7 % (139 of 166)
Sidechain	68.3 % (747 of 1094)	69.1 % (461 of 667)	68.5 % (281 of 410)	29.4 % (5 of 17)
Aromatic	46.7 % (57 of 122)	63.9 % (39 of 61)	30.0 % (18 of 60)	0.0 % (0 of 1)
Methyl	61.9 % (104 of 168)	66.7 % (56 of 84)	57.1 % (48 of 84)

1. Calmodulin

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

2. C20W peptide

LRRGQILWFR GLNRIQTQIK

Show sample condition

Sample

Temperature 303 (±0.05) K, pH 6.5 (±0.1)

#	Name	Concentration
1	Calmodulin	1.7 mM
2	C20W peptide	1.7 mM
3	KCl	100 mM
4	CaCl2	5 mM

Chem. Shift Complete2

Sequence coverage: 25.6 %, Completeness: 47.2 %, Completeness (bb): 51.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	47.2 % (1833 of 3886)	49.6 % (1005 of 2028)	44.2 % (659 of 1492)	46.2 % (169 of 366)
Backbone	51.1 % (1026 of 2008)	55.3 % (384 of 694)	48.7 % (478 of 982)	49.4 % (164 of 332)
Sidechain	44.1 % (964 of 2188)	46.6 % (621 of 1334)	41.2 % (338 of 820)	14.7 % (5 of 34)
Aromatic	35.2 % (86 of 244)	49.2 % (60 of 122)	21.7 % (26 of 120)	0.0 % (0 of 2)
Methyl	39.9 % (134 of 336)	44.6 % (75 of 168)	35.1 % (59 of 168)

1. Calmodulin

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

2. C20W peptide

LRRGQILWFR GLNRIQTQIK

Show sample condition

Sample

Temperature 303 (±0.05) K, pH 6.5 (±0.1)

#	Name	Concentration
1	Calmodulin	1.7 mM
2	C20W peptide	1.7 mM
3	KCl	100 mM
4	CaCl2	5 mM

Protein Blocks Logo

Calculated from 26 models in PDB: 1CFF, Strand ID: A, B Detail

Release date

1999-09-30

Citation

The Structural Basis of Calcium Dependent Inactivation of the Transient Receptor Potential Vanilloid 5 Channel
Elshorst, B., Hennig, M., Foersterling, H., Diener, A., Maurer, M., Schulte, P., Schwalbe, H., Griesinger, C., Krebs, J., Schmid, H., Vorherr, T., Carafoli, E.
Biochemistry (2018), 38, 12320-12332, PubMed 29584409 , DOI 10.1021/acs.biochem.7b01287 , Abstract

Related entities 1. Calmodulin, : 11 : 88 entities Detail

Related entities 2. C20W peptide, : 1 : 1 : 21 : 2 : 11 entities Detail

Interaction partners 2. C20W peptide, : 7 interactors Detail

More details for 7 interactors identified by 5 citations

Experiments performed 16 experiments Detail

1 15N-HSQC