BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	71.4 % (568 of 796)	56.9 % (235 of 413)	86.3 % (265 of 307)	89.5 % (68 of 76)
Backbone	94.1 % (401 of 426)	87.1 % (128 of 147)	98.6 % (205 of 208)	95.8 % (68 of 71)
Sidechain	53.4 % (233 of 436)	40.2 % (107 of 266)	76.4 % (126 of 165)	0.0 % (0 of 5)
Aromatic	12.0 % (6 of 50)	12.0 % (3 of 25)	12.0 % (3 of 25)
Methyl	57.6 % (38 of 66)	39.4 % (13 of 33)	75.8 % (25 of 33)

1. entity

DTDSEEEIRE AFRVFDKDGN GYISAAELRH VMTNLGEKLT DEEVDEMIRE ADIDGDGQVN YEEFVQMMTA K

Show sample condition

Sample

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

#	Name	Isotope labeling	Concentration
1	CaM	natural abundance	1.0 mM
2	TRIS	natural abundance	20 mM
3	H2O	natural abundance	90 %
4	D2O	natural abundance	10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.27 ppm, Outliers: 3 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.27 ppm, Outliers: 3 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.0 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.66 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 19 models in PDB: 2LQP, Strand ID: A Detail

Release date

2012-03-14

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

Entries sharing articles BMRB: 1 entries Detail

BMRB: 18302 released on 2012-06-03
Title Solution structure of the calcium-bound CaM N-terminal domain in a complex.

Related entities 1. calcium-bound CaM C-terminal domain in a complex, : 1 : 113 : 4 : 3 : 454 entities Detail

Interaction partners 1. calcium-bound CaM C-terminal domain in a complex, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 500 MHz

Sample

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

#	Name	Isotope labeling	Concentration
1	CaM	natural abundance	1.0 mM
2	TRIS	natural abundance	20 mM
3	H2O	natural abundance	90 %
4	D2O	natural abundance	10 %

2 2D 1H-13C HSQC aromatic

Instrument

Bruker Avance - 500 MHz

Sample

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

#	Name	Isotope labeling	Concentration
1	CaM	natural abundance	1.0 mM
2	TRIS	natural abundance	20 mM
3	H2O	natural abundance	90 %
4	D2O	natural abundance	10 %

3 3D CBCA(CO)NH

Instrument

Bruker Avance - 500 MHz

Sample

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

#	Name	Isotope labeling	Concentration
1	CaM	natural abundance	1.0 mM
2	TRIS	natural abundance	20 mM
3	H2O	natural abundance	90 %
4	D2O	natural abundance	10 %

4 3D C(CO)NH

Instrument

Bruker Avance - 500 MHz

Sample

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

#	Name	Isotope labeling	Concentration
1	CaM	natural abundance	1.0 mM
2	TRIS	natural abundance	20 mM
3	H2O	natural abundance	90 %
4	D2O	natural abundance	10 %

5 3D HNCO

Instrument

Bruker Avance - 500 MHz

Sample

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

#	Name	Isotope labeling	Concentration
1	CaM	natural abundance	1.0 mM
2	TRIS	natural abundance	20 mM
3	H2O	natural abundance	90 %
4	D2O	natural abundance	10 %

6 3D HNCACB

Instrument

Bruker Avance - 500 MHz

Sample

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

#	Name	Isotope labeling	Concentration
1	CaM	natural abundance	1.0 mM
2	TRIS	natural abundance	20 mM
3	H2O	natural abundance	90 %
4	D2O	natural abundance	10 %

7 3D H(CCO)NH

Instrument

Bruker Avance - 500 MHz

Sample

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

#	Name	Isotope labeling	Concentration
1	CaM	natural abundance	1.0 mM
2	TRIS	natural abundance	20 mM
3	H2O	natural abundance	90 %
4	D2O	natural abundance	10 %

8 3D HCCH-TOCSY

Instrument

Bruker Avance - 500 MHz

Sample

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

#	Name	Isotope labeling	Concentration
1	CaM	natural abundance	1.0 mM
2	TRIS	natural abundance	20 mM
3	H2O	natural abundance	90 %
4	D2O	natural abundance	10 %

9 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance - 500 MHz

Sample

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

#	Name	Isotope labeling	Concentration
1	CaM	natural abundance	1.0 mM
2	TRIS	natural abundance	20 mM
3	H2O	natural abundance	90 %
4	D2O	natural abundance	10 %

10 3D 1H-15N NOESY

Instrument

Bruker Avance - 500 MHz

Sample

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

#	Name	Isotope labeling	Concentration
1	CaM	natural abundance	1.0 mM
2	TRIS	natural abundance	20 mM
3	H2O	natural abundance	90 %
4	D2O	natural abundance	10 %

11 3D HCACO

Instrument

Bruker Avance - 500 MHz

Sample

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

#	Name	Isotope labeling	Concentration
1	CaM	natural abundance	1.0 mM
2	TRIS	natural abundance	20 mM
3	H2O	natural abundance	90 %
4	D2O	natural abundance	10 %

12 2D 1H-15N HSQC

Instrument

Bruker Avance - 500 MHz

Sample

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

#	Name	Isotope labeling	Concentration
1	CaM	natural abundance	1.0 mM
2	TRIS	natural abundance	20 mM
3	H2O	natural abundance	90 %
4	D2O	natural abundance	10 %

13 3D HBHA(CO)NH

Instrument

Bruker Avance - 500 MHz

Sample

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

#	Name	Isotope labeling	Concentration
1	CaM	natural abundance	1.0 mM
2	TRIS	natural abundance	20 mM
3	H2O	natural abundance	90 %
4	D2O	natural abundance	10 %

NMR combined restraints 6 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints	combined_18323_2lqp.nef
Input source #2: Coordindates	2lqp.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	True (see coodinates for details)
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)

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:58:GLN:O	2:2:CA:CA	unknown	unknown	n/a
1:52:ASP:OD1	2:2:CA:CA	unknown	unknown	n/a
1:20:ASN:OD1	2:1:CA:CA	unknown	unknown	n/a
1:27:GLU:OE1	2:1:CA:CA	unknown	unknown	n/a
1:22:TYR:O	2:1:CA:CA	unknown	unknown	n/a
1:16:ASP:OD1	2:1:CA:CA	unknown	unknown	n/a
1:27:GLU:OE2	2:1:CA:CA	unknown	unknown	n/a
1:63:GLU:OE1	2:2:CA:CA	unknown	unknown	n/a
1:58:GLN:OE1	2:1:CA:CA	unknown	unknown	n/a
1:52:ASP:OD2	2:2:CA:CA	unknown	unknown	n/a
1:56:ASP:OD2	2:2:CA:CA	unknown	unknown	n/a
1:56:ASP:OD1	2:2:CA:CA	unknown	unknown	n/a

Non-standard residues

Chain_ID	Seq_ID	Comp_ID	Chem_comp_name	Experimental evidences
B	1	CA	CALCIUM ION	Distance restraints
B	2	CA	CALCIUM ION	None

Sequence alignments

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

--80-------90-------100-------110-------120-------130-------140--------
DTDSEEEIREAFRVFDKDGNGYISAAELRHVMTNLGEKLTDEEVDEMIREADIDGDGQVNYEEFVQMMTAK
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DTDSEEEIREAFRVFDKDGNGYISAAELRHVMTNLGEKLTDEEVDEMIREADIDGDGQVNYEEFVQMMTAK
--------10--------20--------30--------40--------50--------60--------70-

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	71	0	0	100.0

Content subtype: combined_18323_2lqp.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Covalent bonds	assembly	OK	12		No information
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	553		100.0 (chain: A, length: 71)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	Warning	1211 (1)	noe	98.6 (chain: A, length: 71)
2	Distance restraints	CNS/XPLOR_distance_constraints_3	Error	8 (1)	hbond	8.5 (chain: A, length: 71), 50.0 (chain: B, length: 2)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_4	OK	128 (128)	.	98.6 (chain: A, length: 71)
1	RDC restraints	CNS/XPLOR_dipolar_coupling_5	OK	69 (69)	.	97.2 (chain: A, length: 71)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 71, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 224
  - ¹³C chemical shifts: 261
  - ¹⁵N chemical shifts: 68
- Completeness of assignments
  - Entity_assemble_ID: A
- 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: A

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	413	224	54.2
¹³C chemical shifts	307	261	85.0
¹⁵N chemical shifts	80	68	85.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	147	127	86.4
¹³C chemical shifts	142	139	97.9
¹⁵N chemical shifts	71	68	95.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	266	97	36.5
¹³C chemical shifts	165	122	73.9
¹⁵N chemical shifts	9	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	37	13	35.1
¹³C chemical shifts	37	25	67.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	25	0	0.0
¹³C chemical shifts	25	0	0.0

Covalent bonds

Saveframe: assembly
- Status: OK

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 71, Sequence coverage: 98.6%
- Total number of restraints: 1211
- Weight of restraints: 1.0 (1211)
- Potential type of restraints: square-well-parabolic (1211)
- Range of distance target values: 1.14, 2.75 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
  - Chain_ID: B
    None
- Distance restraints on contact map
- Saveframe: CNS/XPLOR_distance_constraints_3
  - Status: Error
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 71, Sequence coverage: 8.5%
    - Entity_assembly_ID: B, Chain length: 2, Sequence coverage: 50.0%
  - Total number of restraints: 8
  - Weight of restraints: 1.0 (8)
  - Potential type of restraints: square-well-parabolic (8)
  - Range of distance target values: 1.5, 1.5 (Å)
  - Distance restraints per residue
    - Chain_ID: A
    - Chain_ID: B
  - Distance restraints on contact map

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_4
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 71, Sequence coverage: 98.6%
- Total number of restraints: 128
- Total number of restraints per polymer type: 128
- Weight of restraints: 1.0 (128)
- Potential type of restraints: square-well-parabolic (128)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

RDC restraints

Saveframe: CNS/XPLOR_dipolar_coupling_5
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 71, Sequence coverage: 97.2%
- Total number of restraints: 69
- Potential type of restraints: undefined (69)
- Range of observed RDC values: 100.0, -100.0 (Hz)
- RDC restraints per residue
  - Chain_ID: A
    None

Keywords CaM, NSCaTE

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BMRB: 18323

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Entries sharing articles BMRB: 1 entries Detail

Related entities 1. calcium-bound CaM C-terminal domain in a complex, : 1 : 113 : 4 : 3 : 454 entities Detail

Interaction partners 1. calcium-bound CaM C-terminal domain in a complex, : 1 interactors Detail

Experiments performed 13 experiments Detail

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NMR combined restraints 6 contents Detail