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BMRB: 16465

2KNE

CALMODULIN WRAPS AROUND ITS BINDING DOMAIN IN THE PLASMA MEMBRANE CA2+ PUMP ANCHORED BY A NOVEL 18-1 MOTIF

Authors

Juranic, N.F., Atanasova, M.F., Filoteo, A.G., Macura, S., Prendergast, F.G., Penniston, J.T., Strehler, E.E.

Assembly

CaM-peptide

Entity

1. CaM-peptide, entity 1 (polymer, Thiol state: not present), 148 monomers, 16706.21 Da Detail

ADQLTEEQIA EFKEAFSLFD KDGDGTITTK ELGTVMRSLG QNPTEAELQD MINEVDADGN GTIDFPEFLT MMARKMKDTD SEEEIREAFR VFDKDGNGYI SAAELRHVMT NLGEKLTDEE VDEMIREADI DGDGQVNYEE FVQMMTAK

2. CaM-peptide, entity 2 (polymer, Thiol state: not present), 28 monomers, 3352.935 Da Detail

LRRGQILWFR GLNRIQTQIK VVKAFHSS

3. CA (non-polymer), 40.078 × 4 Da

Total weight

20219.459 Da

Max. entity weight

16706.21 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.9 %, Completeness: 97.5 %, Completeness (bb): 98.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	97.5 % (1985 of 2035)	97.5 % (1034 of 1060)	97.2 % (762 of 784)	99.0 % (189 of 191)
Backbone	98.0 % (1031 of 1052)	98.9 % (359 of 363)	97.1 % (500 of 515)	98.9 % (172 of 174)
Sidechain	97.3 % (1115 of 1146)	96.8 % (675 of 697)	97.9 % (423 of 432)	100.0 % (17 of 17)
Aromatic	97.8 % (133 of 136)	98.5 % (67 of 68)	97.0 % (65 of 67)	100.0 % (1 of 1)
Methyl	97.8 % (174 of 178)	97.8 % (87 of 89)	97.8 % (87 of 89)

1. entity 1

ADQLTEEQIA EFKEAFSLFD KDGDGTITTK ELGTVMRSLG QNPTEAELQD MINEVDADGN GTIDFPEFLT MMARKMKDTD SEEEIREAFR VFDKDGNGYI SAAELRHVMT NLGEKLTDEE VDEMIREADI DGDGQVNYEE FVQMMTAK

2. entity 2

LRRGQILWFR GLNRIQTQIK VVKAFHSS

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.5) K, pH 7.5 (±0.05), Details 13C,15N labeled holoCaM in complex with unlabeled peptide C28

#	Name	Isotope labeling	Concentration
1	entity_1	[U-99% 13C; U-99% 15N]	1.0 ~ 2.0 mM
2	entity_2	[U-99% 13C; U-99% 15N]	1 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.5) K, pH 7.5 (±0.05), Details 13C,15N labeled peptide C28 in complex with unlabeled holo-CaM

#	Name	Isotope labeling	Concentration
5	entity_1	[U-99% 13C; U-99% 15N]	1.0 ~ 2.0 mM
6	entity_2	[U-99% 13C; U-99% 15N]	1 mM
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %

Protein Blocks Logo

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

Release date

2009-08-23

Citation

Calmodulin wraps around its binding domain in the plasma membrane Ca2+ pump anchored by a novel 18-1 motif
Juranic, N., Atanasova, E., Filoteo, A.G., Macura, S., Prendergast, F.G., Penniston, J.T., Strehler, E.E.
J. Biol. Chem. (2010), 285, 4015-4024, PubMed 19996092 , DOI 10.1074/jbc.M109.060491 , Abstract

Related entities 1. CaM-peptide, entity 1, : 11 : 91 entities Detail

Related entities 2. CaM-peptide, entity 2, : 1 : 35 entities Detail

Interaction partners 2. CaM-peptide, entity 2, : 7 interactors Detail

More details for 7 interactors identified by 5 citations

Experiments performed 20 experiments Detail

1 3D HNCO

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.5) K, pH 7.5 (±0.05), Details 13C,15N labeled holoCaM in complex with unlabeled peptide C28

#	Name	Isotope labeling	Concentration
1	entity_1	[U-99% 13C; U-99% 15N]	1.0 ~ 2.0 mM
2	entity_2	[U-99% 13C; U-99% 15N]	1 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %

2 3D HNCO

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.5) K, pH 7.5 (±0.05), Details 13C,15N labeled peptide C28 in complex with unlabeled holo-CaM

#	Name	Isotope labeling	Concentration
5	entity_1	[U-99% 13C; U-99% 15N]	1.0 ~ 2.0 mM
6	entity_2	[U-99% 13C; U-99% 15N]	1 mM
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %

3 3D HNCACB

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.5) K, pH 7.5 (±0.05), Details 13C,15N labeled holoCaM in complex with unlabeled peptide C28

#	Name	Isotope labeling	Concentration
1	entity_1	[U-99% 13C; U-99% 15N]	1.0 ~ 2.0 mM
2	entity_2	[U-99% 13C; U-99% 15N]	1 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %

4 3D HNCACB

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.5) K, pH 7.5 (±0.05), Details 13C,15N labeled peptide C28 in complex with unlabeled holo-CaM

#	Name	Isotope labeling	Concentration
5	entity_1	[U-99% 13C; U-99% 15N]	1.0 ~ 2.0 mM
6	entity_2	[U-99% 13C; U-99% 15N]	1 mM
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %

5 3D CBCA(CO)NH

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.5) K, pH 7.5 (±0.05), Details 13C,15N labeled holoCaM in complex with unlabeled peptide C28

#	Name	Isotope labeling	Concentration
1	entity_1	[U-99% 13C; U-99% 15N]	1.0 ~ 2.0 mM
2	entity_2	[U-99% 13C; U-99% 15N]	1 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %

6 3D CBCA(CO)NH

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.5) K, pH 7.5 (±0.05), Details 13C,15N labeled peptide C28 in complex with unlabeled holo-CaM

#	Name	Isotope labeling	Concentration
5	entity_1	[U-99% 13C; U-99% 15N]	1.0 ~ 2.0 mM
6	entity_2	[U-99% 13C; U-99% 15N]	1 mM
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %

7 3D HCCH-TOCSY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.5) K, pH 7.5 (±0.05), Details 13C,15N labeled holoCaM in complex with unlabeled peptide C28

#	Name	Isotope labeling	Concentration
1	entity_1	[U-99% 13C; U-99% 15N]	1.0 ~ 2.0 mM
2	entity_2	[U-99% 13C; U-99% 15N]	1 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %

8 3D HCCH-TOCSY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.5) K, pH 7.5 (±0.05), Details 13C,15N labeled peptide C28 in complex with unlabeled holo-CaM

#	Name	Isotope labeling	Concentration
5	entity_1	[U-99% 13C; U-99% 15N]	1.0 ~ 2.0 mM
6	entity_2	[U-99% 13C; U-99% 15N]	1 mM
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %

9 3D HBHA(CO)NH

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.5) K, pH 7.5 (±0.05), Details 13C,15N labeled holoCaM in complex with unlabeled peptide C28

#	Name	Isotope labeling	Concentration
1	entity_1	[U-99% 13C; U-99% 15N]	1.0 ~ 2.0 mM
2	entity_2	[U-99% 13C; U-99% 15N]	1 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %

10 3D HBHA(CO)NH

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.5) K, pH 7.5 (±0.05), Details 13C,15N labeled peptide C28 in complex with unlabeled holo-CaM

#	Name	Isotope labeling	Concentration
5	entity_1	[U-99% 13C; U-99% 15N]	1.0 ~ 2.0 mM
6	entity_2	[U-99% 13C; U-99% 15N]	1 mM
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %

11 3D HCCH-COSY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.5) K, pH 7.5 (±0.05), Details 13C,15N labeled holoCaM in complex with unlabeled peptide C28

#	Name	Isotope labeling	Concentration
1	entity_1	[U-99% 13C; U-99% 15N]	1.0 ~ 2.0 mM
2	entity_2	[U-99% 13C; U-99% 15N]	1 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %

12 3D HCCH-COSY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.5) K, pH 7.5 (±0.05), Details 13C,15N labeled peptide C28 in complex with unlabeled holo-CaM

#	Name	Isotope labeling	Concentration
5	entity_1	[U-99% 13C; U-99% 15N]	1.0 ~ 2.0 mM
6	entity_2	[U-99% 13C; U-99% 15N]	1 mM
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %

13 3D 1H-15N NOESY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.5) K, pH 7.5 (±0.05), Details 13C,15N labeled holoCaM in complex with unlabeled peptide C28

#	Name	Isotope labeling	Concentration
1	entity_1	[U-99% 13C; U-99% 15N]	1.0 ~ 2.0 mM
2	entity_2	[U-99% 13C; U-99% 15N]	1 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %

14 3D 1H-15N NOESY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.5) K, pH 7.5 (±0.05), Details 13C,15N labeled peptide C28 in complex with unlabeled holo-CaM

#	Name	Isotope labeling	Concentration
5	entity_1	[U-99% 13C; U-99% 15N]	1.0 ~ 2.0 mM
6	entity_2	[U-99% 13C; U-99% 15N]	1 mM
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %

15 3D 1H-13C NOESY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.5) K, pH 7.5 (±0.05), Details 13C,15N labeled holoCaM in complex with unlabeled peptide C28

#	Name	Isotope labeling	Concentration
1	entity_1	[U-99% 13C; U-99% 15N]	1.0 ~ 2.0 mM
2	entity_2	[U-99% 13C; U-99% 15N]	1 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %

16 3D 1H-13C NOESY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.5) K, pH 7.5 (±0.05), Details 13C,15N labeled peptide C28 in complex with unlabeled holo-CaM

#	Name	Isotope labeling	Concentration
5	entity_1	[U-99% 13C; U-99% 15N]	1.0 ~ 2.0 mM
6	entity_2	[U-99% 13C; U-99% 15N]	1 mM
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %

17 3D HNCO

Instrument

Bruker Avance - 700 MHz

Sample

State anisotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.5) K, pH 7.5 (±0.05), Details 13C,15N labeled holoCaM in complex with unlabeled peptide C28

#	Name	Isotope labeling	Concentration
1	entity_1	[U-99% 13C; U-99% 15N]	1.0 ~ 2.0 mM
2	entity_2	[U-99% 13C; U-99% 15N]	1 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %

18 3D HNCO

Instrument

Bruker Avance - 700 MHz

Sample

State anisotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.5) K, pH 7.5 (±0.05), Details 13C,15N labeled peptide C28 in complex with unlabeled holo-CaM

#	Name	Isotope labeling	Concentration
5	entity_1	[U-99% 13C; U-99% 15N]	1.0 ~ 2.0 mM
6	entity_2	[U-99% 13C; U-99% 15N]	1 mM
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %

19 3D HNHA

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.5) K, pH 7.5 (±0.05), Details 13C,15N labeled holoCaM in complex with unlabeled peptide C28

#	Name	Isotope labeling	Concentration
1	entity_1	[U-99% 13C; U-99% 15N]	1.0 ~ 2.0 mM
2	entity_2	[U-99% 13C; U-99% 15N]	1 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %

20 3D HNHA

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.5) K, pH 7.5 (±0.05), Details 13C,15N labeled peptide C28 in complex with unlabeled holo-CaM

#	Name	Isotope labeling	Concentration
5	entity_1	[U-99% 13C; U-99% 15N]	1.0 ~ 2.0 mM
6	entity_2	[U-99% 13C; U-99% 15N]	1 mM
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %

NMR combined restraints 7 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints	combined_16465_2kne.nef
Input source #2: Coordindates	2kne.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)
3:1:CA:CA	1:26:THR:O	unknown	unknown	n/a
3:1:CA:CA	1:22:ASP:OD1	unknown	unknown	n/a
3:1:CA:CA	1:24:ASP:OD1	unknown	unknown	n/a
3:1:CA:CA	1:20:ASP:OD1	unknown	unknown	n/a
3:1:CA:CA	1:31:GLU:OE1	unknown	unknown	n/a
3:1:CA:CA	1:31:GLU:OE2	unknown	unknown	n/a
3:2:CA:CA	1:67:GLU:OE1	unknown	unknown	n/a
3:2:CA:CA	1:67:GLU:OE2	unknown	unknown	n/a
3:2:CA:CA	1:56:ASP:OD1	unknown	unknown	n/a
3:2:CA:CA	1:58:ASP:OD1	unknown	unknown	n/a
3:2:CA:CA	1:60:ASN:OD1	unknown	unknown	n/a
3:2:CA:CA	1:62:THR:O	unknown	unknown	n/a
3:3:CA:CA	1:104:GLU:OE1	unknown	unknown	n/a
3:3:CA:CA	1:97:ASN:OD1	unknown	unknown	n/a
3:3:CA:CA	1:99:TYR:O	unknown	unknown	n/a
3:3:CA:CA	1:95:ASP:OD1	unknown	unknown	n/a
3:3:CA:CA	1:104:GLU:OE2	unknown	unknown	n/a
3:3:CA:CA	1:93:ASP:OD1	unknown	unknown	n/a
3:4:CA:CA	1:140:GLU:OE1	unknown	unknown	n/a
3:4:CA:CA	1:140:GLU:OE2	unknown	unknown	n/a
3:4:CA:CA	1:129:ASP:OD1	unknown	unknown	n/a
3:4:CA:CA	1:133:ASP:OD1	unknown	unknown	n/a
3:4:CA:CA	1:135:GLN:O	unknown	unknown	n/a
3:4:CA:CA	1:131:ASP:OD1	unknown	unknown	n/a

Non-standard residues

Chain_ID	Seq_ID	Comp_ID	Chem_comp_name	Experimental evidences
C	1	CA	CALCIUM ION	Distance restraints
C	2	CA	CALCIUM ION	None
C	3	CA	CALCIUM ION	None
C	4	CA	CALCIUM ION	None

Sequence alignments

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

--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
ADQLTEEQIAEFKEAFSLFDKDGDGTITTKELGTVMRSLGQNPTEAELQDMINEVDADGNGTIDFPEFLTMMARKMKDTDSEEEIREAFRVFDKDGNGYI
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ADQLTEEQIAEFKEAFSLFDKDGDGTITTKELGTVMRSLGQNPTEAELQDMINEVDADGNGTIDFPEFLTMMARKMKDTDSEEEIREAFRVFDKDGNGYI

-------110-------120-------130-------140--------
SAAELRHVMTNLGEKLTDEEVDEMIREADIDGDGQVNYEEFVQMMTAK
||||||||||||||||||||||||||||||||||||||||||||||||
SAAELRHVMTNLGEKLTDEEVDEMIREADIDGDGQVNYEEFVQMMTAK

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

----1090---1100------1110---
LRRGQILWFRGLNRIQTQIKVVKAFHSS
||||||||||||||||||||||||||||
LRRGQILWFRGLNRIQTQIKVVKAFHSS
--------10--------20--------

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	148	0	0	100.0
B	B	28	0	0	100.0

Content subtype: combined_16465_2kne.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Covalent bonds	assembly	OK	24		No information
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1985		100.0 (chain: A, length: 148), 92.9 (chain: B, length: 28)
1	Distance restraints	CNS/XPLOR_distance_constraints_6	OK	2447 (1)	noe	100.0 (chain: A, length: 148), 92.9 (chain: B, length: 28)
2	Distance restraints	CNS/XPLOR_distance_constraints_7	Error	66 (1)	undefined	13.5 (chain: A, length: 148), 25.0 (chain: C, length: 4)
3	Distance restraints	CNS/XPLOR_distance_constraints_5	Warning	172 (1)	hbond	66.2 (chain: A, length: 148), 75.0 (chain: B, length: 28)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_4	OK	303 (303)	.	94.6 (chain: A, length: 148), 85.7 (chain: B, length: 28)
1	RDC restraints	CNS/XPLOR_dipolar_coupling_2	OK	377 (377)	.	98.0 (chain: A, length: 148), 92.9 (chain: B, length: 28)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 148, Sequence coverage: 100.0%
  - Entity_assembly_ID: B, Chain length: 28, Sequence coverage: 92.9%
- Total number of assignments
  - ¹H chemical shifts: 1036
  - ¹³C chemical shifts: 758
  - ¹⁵N chemical shifts: 191
- Completeness of assignments
  - Entity_assemble_ID: A
  - Entity_assemble_ID: B
- Peptide bond of PRO
- Tautomeric state of HIS
- 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
  - Chain_ID: B

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
107	HIS	HD1	8.66
107	HIS	ND1	119.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	867	859	99.1
¹³C chemical shifts	645	633	98.1
¹⁵N chemical shifts	164	158	96.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	305	304	99.7
¹³C chemical shifts	296	285	96.3
¹⁵N chemical shifts	146	146	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	562	555	98.8
¹³C chemical shifts	349	348	99.7
¹⁵N chemical shifts	18	12	66.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	80	80	100.0
¹³C chemical shifts	80	80	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	50	49	98.0
¹³C chemical shifts	50	49	98.0

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
1111	HIS	HD1	9.08
1111	HIS	ND1	124.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	193	174	90.2
¹³C chemical shifts	139	125	89.9
¹⁵N chemical shifts	37	31	83.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	58	54	93.1
¹³C chemical shifts	56	50	89.3
¹⁵N chemical shifts	28	26	92.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	135	120	88.9
¹³C chemical shifts	83	75	90.4
¹⁵N chemical shifts	9	5	55.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	18	16	88.9
¹³C chemical shifts	18	16	88.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	18	18	100.0
¹³C chemical shifts	17	16	94.1
¹⁵N chemical shifts	1	1	100.0

Covalent bonds

Saveframe: assembly
- Status: OK

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_6
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 148, Sequence coverage: 100.0%
  - Entity_assembly_ID: B, Chain length: 28, Sequence coverage: 92.9%
- Total number of restraints: 2447
- Weight of restraints: 1.0 (2447)
- Potential type of restraints: square-well-parabolic (2447)
- Range of distance target values: 2.5, 8.95 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
  - Chain_ID: B
  - Chain_ID: C
    None
- Distance restraints on contact map
- Saveframe: CNS/XPLOR_distance_constraints_7
  - Status: Error
  - Experiment type: undefined
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 148, Sequence coverage: 13.5%
    - Entity_assembly_ID: C, Chain length: 4, Sequence coverage: 25.0%
  - Total number of restraints: 66
  - Weight of restraints: 1.0 (66)
  - Potential type of restraints: square-well-parabolic (66)
  - Range of distance target values: 2.3, 4.0 (Å)
  - Histogram of distance target values
  - Distance restraints per residue
    - Chain_ID: A
    - Chain_ID: B
      None
    - Chain_ID: C
  - Distance restraints on contact map
  - Saveframe: CNS/XPLOR_distance_constraints_5
    - Status: Warning
    - Experiment type: hbond
    - Sequence coverage of experimental data
      - Entity_assembly_ID: A, Chain length: 148, Sequence coverage: 66.2%
      - Entity_assembly_ID: B, Chain length: 28, Sequence coverage: 75.0%
    - Total number of restraints: 172
    - Weight of restraints: 1.0 (172)
    - Potential type of restraints: square-well-parabolic (172)
    - Range of distance target values: 1.85, 5.15 (Å)
    - Histogram of distance target values
    - Distance restraints per residue
      - Chain_ID: A
      - Chain_ID: B
      - Chain_ID: C
        None
    - 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: 148, Sequence coverage: 94.6%
  - Entity_assembly_ID: B, Chain length: 28, Sequence coverage: 85.7%
- Total number of restraints: 303
- Total number of restraints per polymer type: 303
- Weight of restraints: 1.0 (303)
- Potential type of restraints: square-well-parabolic (303)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A
  - Chain_ID: B

RDC restraints

Saveframe: CNS/XPLOR_dipolar_coupling_2

Status: OK
Experiment type: .

Sequence coverage of experimental data

Entity_assembly_ID: A, Chain length: 148, Sequence coverage: 98.0%

--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
ADQLTEEQIAEFKEAFSLFDKDGDGTITTKELGTVMRSLGQNPTEAELQDMINEVDADGNGTIDFPEFLTMMARKMKDTDSEEEIREAFRVFDKDGNGYI
 ||||||||||||||||||||||||||||||||||||||||| |||||||||||||||||||||| ||||||||||||||||||||||||||||||||||
.DQLTEEQIAEFKEAFSLFDKDGDGTITTKELGTVMRSLGQN.TEAELQDMINEVDADGNGTIDF.EFLTMMARKMKDTDSEEEIREAFRVFDKDGNGYI

-------110-------120-------130-------140--------
SAAELRHVMTNLGEKLTDEEVDEMIREADIDGDGQVNYEEFVQMMTAK
||||||||||||||||||||||||||||||||||||||||||||||||
SAAELRHVMTNLGEKLTDEEVDEMIREADIDGDGQVNYEEFVQMMTAK

Entity_assembly_ID: B, Chain length: 28, Sequence coverage: 92.9%

----1090---1100------1110---
LRRGQILWFRGLNRIQTQIKVVKAFHSS
  ||||||||||||||||||||||||||
..RGQILWFRGLNRIQTQIKVVKAFHSS

Total number of restraints: 377
Potential type of restraints: undefined (377)
Range of observed RDC values: 100.0, -100.0 (Hz)
RDC restraints per residue
- Chain_ID: A
  None
- Chain_ID: B
  None

Keywords calcium pump, calmodulin, peptide, protein

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Found 1 Document (1.986 seconds)

BMRB: 16465

Sample #1

Sample #2

Related entities 1. CaM-peptide, entity 1, : 11 : 91 entities Detail

Related entities 2. CaM-peptide, entity 2, : 1 : 35 entities Detail

Interaction partners 2. CaM-peptide, entity 2, : 7 interactors Detail

Experiments performed 20 experiments Detail

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NMR combined restraints 7 contents Detail