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BMRB: 18302

2LQC

Solution structure of the calcium-bound CaM N-terminal domain in a complex.

Authors

Liu, Z.

Assembly

calcium-bound CaM N-terminal domain in a complex

Entity

1. CaM N-terminal domain (polymer), 77 monomers, 8576.471 Da Detail

ADQLTEEQIA EFKEAFSLFD KDGDGTITTK ELGTVMRSLG QNPTEAELQD MINEVDADGN GTIDFPEFLT MMARKMK

2. NSCaTE peptide (polymer), 24 monomers, 2345.633 Da Detail

GTGAALSWQA AIDAARQAKL MGSA

3. calcium-bound CaM N-terminal domain in a complex, entity CA (non-polymer), 40.078 × 2 Da

Total weight

11002.26 Da

Max. entity weight

8576.471 Da

Entity Connection

metal coordination 11 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	metal coordination	sing	1:ASP24:OD2	3:CA1:CA
2	metal coordination	sing	1:GLU31:OE1	3:CA1:CA
3	metal coordination	sing	1:THR26:O	3:CA1:CA
4	metal coordination	sing	1:ASP64:OD2	3:CA1:CA
5	metal coordination	sing	1:THR62:O	3:CA1:CA
6	metal coordination	sing	1:THR28:OG1	3:CA1:CA
7	metal coordination	sing	1:ASP22:OD1	3:CA1:CA
8	metal coordination	sing	1:THR26:OG1	3:CA1:CA
9	metal coordination	sing	1:GLU31:OE2	3:CA1:CA
10	metal coordination	sing	1:ASP24:OD1	3:CA1:CA
11	metal coordination	sing	1:ASP22:OD2	3:CA1:CA

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.0 %, Completeness: 82.0 %, Completeness (bb): 97.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	82.0 % (915 of 1116)	78.5 % (452 of 576)	85.2 % (367 of 431)	88.1 % (96 of 109)
Backbone	97.0 % (584 of 602)	96.2 % (201 of 209)	97.6 % (287 of 294)	97.0 % (96 of 99)
Sidechain	69.5 % (421 of 606)	68.4 % (251 of 367)	74.2 % (170 of 229)	0.0 % (0 of 10)
Aromatic	12.9 % (8 of 62)	25.8 % (8 of 31)	0.0 % (0 of 30)	0.0 % (0 of 1)
Methyl	46.2 % (49 of 106)	5.7 % (3 of 53)	86.8 % (46 of 53)

1. CaM N-terminal domain

ADQLTEEQIA EFKEAFSLFD KDGDGTITTK ELGTVMRSLG QNPTEAELQD MINEVDADGN GTIDFPEFLT MMARKMK

2. NSCaTE peptide

GTGAALSWQA AIDAARQAKL MGSA

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	calmodulin	[U-100% 13C; U-100% 15N]	1 mM
2	NSCaTE peptide	natural abundance	2 mM
3	H2O	natural abundance	55 M
4	D2O	[U-99% 2H]	5 M
5	DTT	natural abundance	10 mM
6	TRIS	natural abundance	20 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
7	NSCaTE peptide	[U-100% 13C; U-100% 15N]	1 mM
8	calmodulin	natural abundance	0.5 mM
9	H2O	natural abundance	55 M
10	D2O	[U-99% 2H]	5 M
11	DTT	natural abundance	10 mM
12	TRIS	natural abundance	20 mM

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
13	calmodulin	[U-100% 13C; U-100% 15N]	1 mM
14	NSCaTE peptide	natural abundance	2 mM
15	Pf1 phage	natural abundance	7.5 mg

Protein Blocks Logo

Calculated from 20 models in PDB: 2LQC, Strand ID: A, B Detail

Release date

2012-06-03

Citation

Structural basis for the regulation of L-type voltage-gated calcium channels: interactions between the N-terminal cytoplasmic domain and Ca(2+)-calmodulin
Liu, Z., Vogel, H.J.
Front. Mol. Neurosci. (2012), 5, 38-38, PubMed 22518098 , DOI 10.3389/fnmol.2012.00038 , Abstract

Related entities 1. CaM N-terminal domain, : 13 : 172 entities Detail

Related entities 2. NSCaTE peptide, : 1 : 7 : 9 entities Detail

Interaction partners 2. NSCaTE peptide, : 6 interactors Detail

More details for 6 interactors identified by 4 citations

Experiments performed 12 experiments Detail

1 2D 1H-15N HSQC