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Found 1 Document (3.152 seconds)

BMRB: 4994

1IH0

Structure of the C-domain of Human Cardiac Troponin C in Complex with the Ca2+ Sensitizing Drug EMD 57033

Authors

Wang, X., Li, M.X., Spyracopoulos, L., Beier, N., Chandra, M., Solaro, R.JOHN., Sykes, B.D.

Assembly

C domain of Cardiac Troponin C. complexed to EMD 57033

Entity

1. C-domain of human Cardiac Troponin C (polymer, Thiol state: not present), 71 monomers, 8243.965 Da Detail

GKSEEELSDL FRMFDKNADG YIDLEELKIM LQATGETITE DDIEELMKDG DKNNDGRIDY DEFLEFMKGV E

2. EMD 57033 (non-polymer), 1 monomers, 425.501 Da
3. CALCIUM ION (non-polymer), 40.078 × 2 Da

Total weight

8749.622 Da

Max. entity weight

8243.965 Da

Entity Connection

metal coordination 12 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	metal coordination	sing	3:CA1:CA	1:ASP15:OD1
2	metal coordination	sing	3:CA1:CA	1:ASN17:HD21
3	metal coordination	sing	3:CA1:CA	1:ASP19:OD1
4	metal coordination	sing	3:CA1:CA	1:TYR21:OH
5	metal coordination	sing	3:CA1:CA	1:GLU26:OE1
6	metal coordination	sing	3:CA1:CA	1:GLU26:OE2
7	metal coordination	sing	3:CA1:CA	1:ASP51:OD1
8	metal coordination	sing	3:CA1:CA	1:ASN53:HD21
9	metal coordination	sing	3:CA1:CA	1:ASP55:OD1
10	metal coordination	sing	3:CA1:CA	1:ARG57:O
11	metal coordination	sing	3:CA1:CA	1:GLU62:OE1
12	metal coordination	sing	3:CA1:CA	1:GLU62:OE2

Source organism

Homo sapiens

Exptl. method

NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, coupling_constants

Chem. Shift Complete1

Sequence coverage: 100.0 %, Completeness: 79.8 %, Completeness (bb): 75.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	79.8 % (660 of 827)	90.1 % (390 of 433)	64.3 % (205 of 319)	86.7 % (65 of 75)
Backbone	75.8 % (323 of 426)	87.8 % (130 of 148)	63.8 % (132 of 207)	85.9 % (61 of 71)
Sidechain	84.8 % (395 of 466)	91.2 % (260 of 285)	74.0 % (131 of 177)	100.0 % (4 of 4)
Aromatic	48.2 % (27 of 56)	96.4 % (27 of 28)	0.0 % (0 of 28)
Methyl	90.3 % (56 of 62)	93.5 % (29 of 31)	87.1 % (27 of 31)

1. C-domain of human Cardiac Troponin C

GKSEEELSDL FRMFDKNADG YIDLEELKIM LQATGETITE DDIEELMKDG DKNNDGRIDY DEFLEFMKGV E

Show sample condition

Sample

Temperature 303 (±1) K, pH 6.7 (±0.1)

#	Name	Isotope labeling	Concentration
1	C-domain of human Cardiac Troponin C	[U-95% 13C; U-95% 15N]	1.0 mM
2	EMD 57033		1.0 mM
3	CaCl2		5.0 mM
4	H2O		90 %
5	D2O		10 %

Chem. Shift Complete2

Sequence coverage: 23.9 %, Completeness: 44.7 %, Completeness (bb): 44.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	44.7 % (740 of 1654)	49.0 % (424 of 866)	37.1 % (237 of 638)	52.7 % (79 of 150)
Backbone	44.2 % (377 of 852)	48.6 % (144 of 296)	38.2 % (158 of 414)	52.8 % (75 of 142)
Sidechain	46.4 % (432 of 932)	49.1 % (280 of 570)	41.8 % (148 of 354)	50.0 % (4 of 8)
Aromatic	24.1 % (27 of 112)	48.2 % (27 of 56)	0.0 % (0 of 56)
Methyl	50.8 % (63 of 124)	53.2 % (33 of 62)	48.4 % (30 of 62)

1. C-domain of human Cardiac Troponin C

GKSEEELSDL FRMFDKNADG YIDLEELKIM LQATGETITE DDIEELMKDG DKNNDGRIDY DEFLEFMKGV E

Show sample condition

Sample

Temperature 303 (±1) K, pH 6.7 (±0.1)

#	Name	Isotope labeling	Concentration
1	C-domain of human Cardiac Troponin C	[U-95% 13C; U-95% 15N]	1.0 mM
2	EMD 57033		1.0 mM
3	CaCl2		5.0 mM
4	H2O		90 %
5	D2O		10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	43.0 ppm	null	indirect	0.25146
¹H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
¹⁵N	DSS	methyl protons	118.0 ppm	null	indirect	0.10134

Referencing offset: 0.39 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	43.0 ppm	null	indirect	0.25146
¹H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
¹⁵N	DSS	methyl protons	118.0 ppm	null	indirect	0.10134

Referencing offset: 0.39 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	43.0 ppm	null	indirect	0.25146
¹H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
¹⁵N	DSS	methyl protons	118.0 ppm	null	indirect	0.10134

Referencing offset: -0.02 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 30 models in PDB: 1IH0, Strand ID: A Detail

Coupling constant

48 J values in 1 lists
Temperature 303 (±1) K, pH 6.7 (±0.1) Detail

Release date

2001-09-11

Citation

Structure of the C-domain of human cardiac troponin C in complex with the Ca2+ sensitizing drug EMD 57033
Wang, X., Li, M.X., Spyracopoulos, L., Beier, N., Chandra, M., Solaro, R.JOHN., Sykes, B.D.
J. Biol. Chem. (2001), 276, 25456-25466, PubMed 11320096 , DOI 10.1074/jbc.M102418200 , Abstract

Related entities 1. C-domain of human Cardiac Troponin C, : 1 : 26 : 27 : 457 entities Detail

Interaction partners 1. C-domain of human Cardiac Troponin C, : 8 interactors Detail

More details for 8 interactors identified by 5 citations

Experiments performed 7 experiments Detail

nullKeywords calcium binding protein, calcium sensitizer., muscle contraction regulation

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Found 1 Document (3.152 seconds)

BMRB: 4994

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Related entities 1. C-domain of human Cardiac Troponin C, : 1 : 26 : 27 : 457 entities Detail

Interaction partners 1. C-domain of human Cardiac Troponin C, : 8 interactors Detail

Experiments performed 7 experiments Detail

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