BMRBj - BMREntryMaster

Found 1 Document (1.182 seconds)

BMRB: 34521

2YGG

Ternary complex of Calmodulin bound to 2 molecules of NHE1

Authors

Prestel, A., Kragelund, B.B., Pedersen, E.S., Pedersen, S.F., Sjoegaard-Frich, L.M.

Assembly

Calmodulin-1, Sodium/hydrogen exchanger 1

Entity

1. Calmodulin-1, Sodium/hydrogen exchanger 1, 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. Calmodulin-1, Sodium/hydrogen exchanger 1, entity 2 (polymer, Thiol state: not present), 36 monomers, 4393.965 × 2 Da Detail

ALSKDKEEEI RKILRNNLQK TRQRLRSYNR HTLVAD

3. Calmodulin-1, Sodium/hydrogen exchanger 1, entity CA (non-polymer), 40.078 × 4 Da

Total weight

25654.453 Da

Max. entity weight

16706.21 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 99.5 %, Completeness: 90.4 %, Completeness (bb): 94.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	90.4 % (1929 of 2135)	89.2 % (991 of 1111)	92.6 % (753 of 813)	87.7 % (185 of 211)
Backbone	94.7 % (1042 of 1100)	95.0 % (358 of 377)	95.2 % (515 of 541)	92.9 % (169 of 182)
Sidechain	87.2 % (1053 of 1208)	86.2 % (633 of 734)	90.8 % (404 of 445)	55.2 % (16 of 29)
Aromatic	78.6 % (88 of 112)	78.6 % (44 of 56)	78.6 % (44 of 56)
Methyl	98.9 % (180 of 182)	98.9 % (90 of 91)	98.9 % (90 of 91)

1. entity 1

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

2. entity 2

ALSKDKEEEI RKILRNNLQK TRQRLRSYNR HTLVAD

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 (±0.01) atm, Temperature 310 (±0.2) K, pH 7.5 (±0.2), Details 0.5 mM [U-99% 13C; U-99% 15N] Calmodulin, 1.15 mM Sodium/Hydrogen exchanger 1 (NHE1, SLC9A1), 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	Calmodulin	[U-99% 13C; U-99% 15N]		0.5 (±0.05) mM
2	Sodium/Hydrogen exchanger 1 (NHE1, SLC9A1)	natural abundance		1.15 (±0.05) mM

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 (±0.01) atm, Temperature 310 (±0.2) K, pH 7.5 (±0.2), Details 1 mM [U-99% 13C; U-99% 15N] Sodium/Hydrogen exchanger 1 (NHE1, SLC9A1), 0.5 mM Calmodulin, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
3	Calmodulin	natural abundance		0.5 (±0.05) mM
4	Sodium/Hydrogen exchanger 1 (NHE1, SLC9A1)	[U-99% 13C; U-99% 15N]		1 (±0.05) mM

Release date

2020-08-31

Citation

Dynamic Na⁺/H⁺ exchanger 1 (NHE1) - calmodulin complexes of varying stoichiometry and structure regulate Ca²⁺-dependent NHE1 activation
Sjoegaard-Frich, L.M., Prestel, A., Pedersen, E.S., Severin, M., Olsen, J.G., Kragelund, B.B., Pedersen, S.F.
Elife (2021), 10, e60889-e60889, PubMed 33655882 , DOI 10.7554/eLife.60889 , Abstract

Related entities 1. Calmodulin-1, Sodium/hydrogen exchanger 1, entity 1, : 11 : 88 entities Detail

Related entities 2. Calmodulin-1, Sodium/hydrogen exchanger 1, entity 2, : 1 : 6 : 5 : 20 entities Detail

Interaction partners 2. Calmodulin-1, Sodium/hydrogen exchanger 1, entity 2, : 14 interactors Detail

More details for 14 interactors identified by 6 citations

Experiments performed 25 experiments Detail

1 3D 1H-13C NOESY aliphatic

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 (±0.01) atm, Temperature 310 (±0.2) K, pH 7.5 (±0.2), Details 0.5 mM [U-99% 13C; U-99% 15N] Calmodulin, 1.15 mM Sodium/Hydrogen exchanger 1 (NHE1, SLC9A1), 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	Calmodulin	[U-99% 13C; U-99% 15N]		0.5 (±0.05) mM
2	Sodium/Hydrogen exchanger 1 (NHE1, SLC9A1)	natural abundance		1.15 (±0.05) mM

2 3D 1H-13C NOESY aromatic

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	Calmodulin	[U-99% 13C; U-99% 15N]		0.5 (±0.05) mM
2	Sodium/Hydrogen exchanger 1 (NHE1, SLC9A1)	natural abundance		1.15 (±0.05) mM

3 3D 1H-15N NOESY

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	Calmodulin	[U-99% 13C; U-99% 15N]		0.5 (±0.05) mM
2	Sodium/Hydrogen exchanger 1 (NHE1, SLC9A1)	natural abundance		1.15 (±0.05) mM

4 3D 1H-15N NOESY 12C/14N filtered

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	Calmodulin	[U-99% 13C; U-99% 15N]		0.5 (±0.05) mM
2	Sodium/Hydrogen exchanger 1 (NHE1, SLC9A1)	natural abundance		1.15 (±0.05) mM

5 3D 1H-13C NOESY 12C/14N filtered

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	Calmodulin	[U-99% 13C; U-99% 15N]		0.5 (±0.05) mM
2	Sodium/Hydrogen exchanger 1 (NHE1, SLC9A1)	natural abundance		1.15 (±0.05) mM

6 3D 1H-15N NOESY 12C/14N filtered

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 (±0.01) atm, Temperature 310 (±0.2) K, pH 7.5 (±0.2), Details 1 mM [U-99% 13C; U-99% 15N] Sodium/Hydrogen exchanger 1 (NHE1, SLC9A1), 0.5 mM Calmodulin, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
3	Calmodulin	natural abundance		0.5 (±0.05) mM
4	Sodium/Hydrogen exchanger 1 (NHE1, SLC9A1)	[U-99% 13C; U-99% 15N]		1 (±0.05) mM

7 3D 1H-13C NOESY 12C/14N filtered

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
3	Calmodulin	natural abundance		0.5 (±0.05) mM
4	Sodium/Hydrogen exchanger 1 (NHE1, SLC9A1)	[U-99% 13C; U-99% 15N]		1 (±0.05) mM

8 3D 1H-15N NOESY

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
3	Calmodulin	natural abundance		0.5 (±0.05) mM
4	Sodium/Hydrogen exchanger 1 (NHE1, SLC9A1)	[U-99% 13C; U-99% 15N]		1 (±0.05) mM

9 3D 1H-13C NOESY

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
3	Calmodulin	natural abundance		0.5 (±0.05) mM
4	Sodium/Hydrogen exchanger 1 (NHE1, SLC9A1)	[U-99% 13C; U-99% 15N]		1 (±0.05) mM

10 3D HNCO

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	Calmodulin	[U-99% 13C; U-99% 15N]		0.5 (±0.05) mM
2	Sodium/Hydrogen exchanger 1 (NHE1, SLC9A1)	natural abundance		1.15 (±0.05) mM

11 3D CBCA(CO)NH

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
3	Calmodulin	natural abundance		0.5 (±0.05) mM
4	Sodium/Hydrogen exchanger 1 (NHE1, SLC9A1)	[U-99% 13C; U-99% 15N]		1 (±0.05) mM

12 3D HNCACB

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
3	Calmodulin	natural abundance		0.5 (±0.05) mM
4	Sodium/Hydrogen exchanger 1 (NHE1, SLC9A1)	[U-99% 13C; U-99% 15N]		1 (±0.05) mM

13 3D HNCO

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
3	Calmodulin	natural abundance		0.5 (±0.05) mM
4	Sodium/Hydrogen exchanger 1 (NHE1, SLC9A1)	[U-99% 13C; U-99% 15N]		1 (±0.05) mM

14 3D HBHA(CO)NH

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
3	Calmodulin	natural abundance		0.5 (±0.05) mM
4	Sodium/Hydrogen exchanger 1 (NHE1, SLC9A1)	[U-99% 13C; U-99% 15N]		1 (±0.05) mM

15 3D HCCH-TOCSY

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
3	Calmodulin	natural abundance		0.5 (±0.05) mM
4	Sodium/Hydrogen exchanger 1 (NHE1, SLC9A1)	[U-99% 13C; U-99% 15N]		1 (±0.05) mM

16 3D HBHA(CO)NH

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	Calmodulin	[U-99% 13C; U-99% 15N]		0.5 (±0.05) mM
2	Sodium/Hydrogen exchanger 1 (NHE1, SLC9A1)	natural abundance		1.15 (±0.05) mM

17 3D HCCH-TOCSY

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	Calmodulin	[U-99% 13C; U-99% 15N]		0.5 (±0.05) mM
2	Sodium/Hydrogen exchanger 1 (NHE1, SLC9A1)	natural abundance		1.15 (±0.05) mM

18 3D C(CO)NH

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	Calmodulin	[U-99% 13C; U-99% 15N]		0.5 (±0.05) mM
2	Sodium/Hydrogen exchanger 1 (NHE1, SLC9A1)	natural abundance		1.15 (±0.05) mM

19 3D HN(CA)CO

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	Calmodulin	[U-99% 13C; U-99% 15N]		0.5 (±0.05) mM
2	Sodium/Hydrogen exchanger 1 (NHE1, SLC9A1)	natural abundance		1.15 (±0.05) mM

20 3D HNCACB

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	Calmodulin	[U-99% 13C; U-99% 15N]		0.5 (±0.05) mM
2	Sodium/Hydrogen exchanger 1 (NHE1, SLC9A1)	natural abundance		1.15 (±0.05) mM

21 3D HN(CA)CO

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
3	Calmodulin	natural abundance		0.5 (±0.05) mM
4	Sodium/Hydrogen exchanger 1 (NHE1, SLC9A1)	[U-99% 13C; U-99% 15N]		1 (±0.05) mM

22 2D 1H-13C HSQC

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	Calmodulin	[U-99% 13C; U-99% 15N]		0.5 (±0.05) mM
2	Sodium/Hydrogen exchanger 1 (NHE1, SLC9A1)	natural abundance		1.15 (±0.05) mM

23 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	Calmodulin	[U-99% 13C; U-99% 15N]		0.5 (±0.05) mM
2	Sodium/Hydrogen exchanger 1 (NHE1, SLC9A1)	natural abundance		1.15 (±0.05) mM

24 2D 1H-13C HSQC

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
3	Calmodulin	natural abundance		0.5 (±0.05) mM
4	Sodium/Hydrogen exchanger 1 (NHE1, SLC9A1)	[U-99% 13C; U-99% 15N]		1 (±0.05) mM

25 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
3	Calmodulin	natural abundance		0.5 (±0.05) mM
4	Sodium/Hydrogen exchanger 1 (NHE1, SLC9A1)	[U-99% 13C; U-99% 15N]		1 (±0.05) mM

Chemical shift validation 5 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34521_3.str
Diamagnetism of the molecular assembly	True (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	Warning

Disulfide bonds

None

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

None

Non-standard residues

None

Content subtype: bmr34521_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	2552		98.0 (chain: 1, length: 148), 100.0 (chain: 2, length: 36)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 148, Sequence coverage: 98.0%
  - Entity_assembly_ID: 2, Chain length: 36, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 1435
  - ¹³C chemical shifts: 898
  - ¹⁵N chemical shifts: 219
- Completeness of assignments
  - Entity_assemble_ID: 1
  - Entity_assemble_ID: 2
- 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: 1
  - Chain_ID: 2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	867	764	88.1
¹³C chemical shifts	645	594	92.1
¹⁵N chemical shifts	164	147	89.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	305	287	94.1
¹³C chemical shifts	296	280	94.6
¹⁵N chemical shifts	146	136	93.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	562	477	84.9
¹³C chemical shifts	349	314	90.0
¹⁵N chemical shifts	18	11	61.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	80	79	98.8
¹³C chemical shifts	80	79	98.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	50	38	76.0
¹³C chemical shifts	50	38	76.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	244	216	88.5
¹³C chemical shifts	168	154	91.7
¹⁵N chemical shifts	47	36	76.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	72	66	91.7
¹³C chemical shifts	72	65	90.3
¹⁵N chemical shifts	36	31	86.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	172	150	87.2
¹³C chemical shifts	96	89	92.7
¹⁵N chemical shifts	11	5	45.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	20	20	100.0
¹³C chemical shifts	20	20	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	6	6	100.0
¹³C chemical shifts	6	6	100.0

Keywords Calmodulin, Complex, METAL BINDING PROTEIN, NHE1, Signaling

Search

Query history

Resources

Search for primary databases

Search for subsidiary databases

Display

Hits per page

Statistics

Query Changes will take effect after "OK" button is selected.

Maximum hits

Default conjunction operator

Omni-box

Search filter

Sequence search (BLAST)

E-value

Query sequence coverage

Miscellaneous

The number of previewed publications

Completeness of assigned chemical shift

Sequence chart about top aligned regions

Sequence chart about interacting regions

Hit context with highlight

Link destinations for BMRB, PDB and EMDB

Found 1 Document (1.182 seconds)

BMRB: 34521

Sample #1

Sample #2

Related entities 1. Calmodulin-1, Sodium/hydrogen exchanger 1, entity 1, : 11 : 88 entities Detail

Related entities 2. Calmodulin-1, Sodium/hydrogen exchanger 1, entity 2, : 1 : 6 : 5 : 20 entities Detail

Interaction partners 2. Calmodulin-1, Sodium/hydrogen exchanger 1, entity 2, : 14 interactors Detail

Experiments performed 25 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument