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Found 1 Document (2.262 seconds)

BMRB: 16190

2KFX

Structure of the N-terminal domain of human cardiac troponin C bound to calcium ion and to the inhibitor W7

Authors

Hoffman, R.M.B., Sykes, B.D.

Assembly

cNTnC and WW7

Entity

1. cNTnC (polymer, Thiol state: not present), 89 monomers, 10030.10 Da Detail

MDDIYKAAVE QLTEEQKNEF KAAFDIFVLG AEDGSISTKE LGKVMRMLGQ NPTPEELQEM IDEVDEDGSG TVDFDEFLVM MVRSMKDDS

2. WW7 (non-polymer), 340.868 Da
3. CA (non-polymer), 40.078 Da

Total weight

10411.046 Da

Max. entity weight

10030.1 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 29.2 %, Completeness: 8.4 %, Completeness (bb): 7.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C
All	8.4 % (77 of 922)	7.2 % (38 of 528)	9.9 % (39 of 394)
Backbone	7.0 % (31 of 443)	6.6 % (12 of 182)	7.3 % (19 of 261)
Sidechain	9.8 % (55 of 562)	7.8 % (27 of 346)	13.0 % (28 of 216)
Aromatic	0.0 % (0 of 58)	0.0 % (0 of 29)	0.0 % (0 of 29)
Methyl	46.5 % (40 of 86)	48.8 % (21 of 43)	44.2 % (19 of 43)

1. cNTnC

MDDIYKAAVE QLTEEQKNEF KAAFDIFVLG AEDGSISTKE LGKVMRMLGQ NPTPEELQEM IDEVDEDGSG TVDFDEFLVM MVRSMKDDS

Show sample condition

Sample

Solvent system 100% D2O, Temperature 303 K, pH 6.75 (±0.25)

#	Name	Isotope labeling	Concentration
1	cNTnC	[U-99% 13C; U-99% 15N]	0.8 mM
2	CALCIUM ION	natural abundance	4.9 mM
3	N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDE	natural abundance	0.8 mM
4	imidazole	natural abundance	10 mM
5	DSS	[U-99% 2H]	83 mM

Protein Blocks Logo

Calculated from 10 models in PDB: 2KFX, Strand ID: T Detail

Release date

2009-05-19

Citation 1

Structure of the inhibitor W7 bound to the regulatory domain of cardiac troponin C
Hoffman, R.M.B., Sykes, B.D.
Biochemistry (2009), 48, 5541-5552, PubMed 19419198 , DOI 10.1021/bi9001826 , Abstract

Show more 2 citaions

Citation 2

Binding of cardiac troponin-I147-163 induces a structural opening in human cardiac troponin-C
Li, M.X., Spyracopoulos, L., Sykes, B.D.
Biochemistry (1999), 38, 8289-8298, PubMed 10387074 , DOI 10.1021/bi9901679 , Abstract

Citation 3

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

Hide non-primary 2 citaions

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

  BMRB: 5386 released on 2003-02-24
    Title 1H, 13C, 15N Chemical Shift Assignments of cNTnC and cTnI(147-163) in the cNTnC-cTnI(147-163)-Bepridil Ternary complex
  Swiss-Prot: P19429 released on 1991-02-01
    Title TNNI3_HUMAN Entity Troponin I, cardiac muscle

Related entities 1. cNTnC, : 1 : 13 : 35 : 268 entities Detail

Interaction partners 1. cNTnC, : 8 interactors Detail

More details for 8 interactors identified by 5 citations

Experiments performed 1 experiments Detail

NMR combined restraints 2 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts	combined_16190_2kfx.nef
Input source #2: Coordindates	2kfx.cif
Diamagnetism of the molecular assembly	False (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Error

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

Chain_ID	Seq_ID	Comp_ID	Chem_comp_name	Experimental evidences
A	1	CA	CALCIUM ION	None
B	1	WW7	N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDE	None

Sequence alignments

Entity_assembly_ID (NMR): T vs Auth_asym_ID (model): T

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
T	T	89	0	0	100.0

Content subtype: combined_16190_2kfx.nef

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts	Warning	42		22.5 (chain: T, length: 89)

Assigned chemical shifts

Saveframe: assigned_chemical_shifts
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: T, Chain length: 89, Sequence coverage: 22.5%
- Total number of assignments
  - ¹H chemical shifts: 21
  - ¹³C chemical shifts: 21
- Completeness of assignments
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: T

Keywords calcium regulation, cardiac, cardiotonic drugs, striated muscle, troponin, W7

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Found 1 Document (2.262 seconds)

BMRB: 16190

Sample

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

Related entities 1. cNTnC, : 1 : 13 : 35 : 268 entities Detail

Interaction partners 1. cNTnC, : 8 interactors Detail

Experiments performed 1 experiments Detail

Instrument

Sample

NMR combined restraints 2 contents Detail