BMRB: 5386

1H, 13C, 15N Chemical Shift Assignments of cNTnC and cTnI(147-163) in the cNTnC-cTnI(147-163)-Bepridil Ternary complex

Authors

Wang, X., Li, M.X., Sykes, B.D.

Assembly

cNTnC-cTnI(147-162)-Bepridil Ternary Complex

Entity

1. human cardiac troponin C, regulatory domain (polymer, Thiol state: all free), 89 monomers, 10062.23 Da Detail

MDDIYKAAVE QLTEEQKNEF KAAFDIFVLG AEDGCISTKE LGKVMRMLGQ NPTPEELQEM IDEVDEDGSG TVDFDEFLVM MVRCMKDDS

2. human cardiac troponin I, residues 147 to 163 (polymer, Thiol state: not present), 17 monomers, 1803.158 Da Detail

RISADAMMQA LLGARAK

3. BEP (non-polymer), 366.540 Da
4. CA (non-polymer), 40.078 Da

Total weight

12272.007 Da

Max. entity weight

10062.23 Da

Entity Connection

na 6 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	na	sing	1:ASP65:OD1	4:CA1:CA
2	na	sing	1:ASP67:OD1	4:CA1:CA
3	na	sing	1:SER69:OG	4:CA1:CA
4	na	sing	1:THR71:OG1	4:CA1:CA
5	na	sing	1:GLU76:OE1	4:CA1:CA
6	na	sing	1:GLU76:OE2	4:CA1:CA

Source organism

Homo sapiens

Exptl. method

NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, coupling_constants

Chem. Shift Complete1

Sequence coverage: 83.0 %, Completeness: 70.3 %, Completeness (bb): 69.1 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	70.3 % (844 of 1201)	74.6 % (466 of 625)	61.9 % (288 of 465)	81.1 % (90 of 111)
Backbone	69.1 % (437 of 632)	81.6 % (177 of 217)	56.3 % (175 of 311)	81.7 % (85 of 104)
Sidechain	73.2 % (489 of 668)	70.8 % (289 of 408)	77.1 % (195 of 253)	71.4 % (5 of 7)
Aromatic	58.6 % (34 of 58)	69.0 % (20 of 29)	48.3 % (14 of 29)
Methyl	79.6 % (86 of 108)	79.6 % (43 of 54)	79.6 % (43 of 54)

1. human cardiac troponin C, regulatory domain

MDDIYKAAVE QLTEEQKNEF KAAFDIFVLG AEDGCISTKE LGKVMRMLGQ NPTPEELQEM IDEVDEDGSG TVDFDEFLVM MVRCMKDDS

2. human cardiac troponin I, residues 147 to 163

RISADAMMQA LLGARAK

Show sample condition

Sample

Temperature 303 (±0.5) K, pH 6.7 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	human cardiac troponin C, regulatory domain	[U-99% 13C; U-99% 15N]		1.0 mM
2	human cardiac troponin I, residues 147 to 163			3.5 mM
3	1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE			1.4 mM
4	KCl			0.1 M
5	DTT			5.0 mM
6	DSS			0.05 mM

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Chem. Shift Complete2

Sequence coverage: 24.5 %, Completeness: 41.0 %, Completeness (bb): 40.7 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	41.0 % (984 of 2402)	45.9 % (574 of 1250)	33.4 % (311 of 930)	44.6 % (99 of 222)
Backbone	40.7 % (515 of 1264)	52.5 % (228 of 434)	31.2 % (194 of 622)	44.7 % (93 of 208)
Sidechain	42.0 % (561 of 1336)	42.8 % (349 of 816)	40.7 % (206 of 506)	42.9 % (6 of 14)
Aromatic	31.0 % (36 of 116)	37.9 % (22 of 58)	24.1 % (14 of 58)
Methyl	47.2 % (102 of 216)	51.9 % (56 of 108)	42.6 % (46 of 108)

1. human cardiac troponin C, regulatory domain

MDDIYKAAVE QLTEEQKNEF KAAFDIFVLG AEDGCISTKE LGKVMRMLGQ NPTPEELQEM IDEVDEDGSG TVDFDEFLVM MVRCMKDDS

2. human cardiac troponin I, residues 147 to 163

RISADAMMQA LLGARAK

Show sample condition

Sample

Temperature 303 (±0.5) K, pH 6.7 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	human cardiac troponin C, regulatory domain	[U-99% 13C; U-99% 15N]		1.0 mM
2	human cardiac troponin I, residues 147 to 163			3.5 mM
3	1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE			1.4 mM
4	KCl			0.1 M
5	DTT			5.0 mM
6	DSS			0.05 mM

Hide sample codition

Protein Blocks Logo

Calculated from 30 models in PDB: 1LXF, Strand ID: C, I Detail

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Coupling constant

33 J values in 1 lists
Temperature 303 (±0.5) K, pH 6.7 (±0.2) Detail

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Temperature 303 (±0.5) K, pH 6.7 (±0.2)

List #1 J_set_1

Release date

2003-02-24

Citation

Structure of the regulatory N-domain of human cardiac troponin C in complex with human cardiac troponin I147-163 and bepridil
Wang, X., Li, M.X., Sykes, B.D.
J. Biol. Chem. (2002), 277, 31124-31133, PubMed 12060657 , DOI 10.1074/jbc.M203896200 , Abstract

Entries sharing articles BMRB: 1, Swiss-Prot: 1 entries Detail

Related entities 1. human cardiac troponin C, regulatory domain, : 3 : 96 entities Detail

Related entities 2. human cardiac troponin I, residues 147 to 163, : 1 : 13 : 10 : 32 entities Detail

Interaction partners 2. human cardiac troponin I, residues 147 to 163, : 1 interactors Detail

Experiments performed 9 experiments Detail