BMRBj - BMREntryMaster

Found 1 Document (0.64 seconds)

BMRB: 34608

7NQC

Calmodulin extracts the Ras family protein RalA from lipid bilayers by engagement with two membrane targeting motifs

Authors

Chamberlain, S.G., Owen, D., Mott, H.R.

Assembly

Calmodulin-1, PRO-ASN-GLY-LYS-LYS-LYS-ARG-LYS-SER-LEU-ALA-LYS-ARG-ILE-ARG-GLU-ARG-CMF (E.C.3.6.5.2)

Entity

1. Calmodulin-1, PRO-ASN-GLY-LYS-LYS-LYS-ARG-LYS-SER-LEU-ALA-LYS-ARG-ILE-ARG-GLU-ARG-CMF (E.C.3.6.5.2), entity 1 (polymer, Thiol state: not present), 165 monomers, 18550.22 Da Detail

MRGSHHHHHH GSMADQLTEE QIAEFKEAFS LFDKDGDGTI TTKELGTVMR SLGQNPTEAE LQDMINEVDA DGNGTIDFPE FLTMMARKMK DTDSEEEIRE AFRVFDKDGN GYISAAELRH VMTNLGEKLT DEEVDEMIRE ADIDGDGQVN YEEFVQMMTA KGGSL

2. Calmodulin-1, PRO-ASN-GLY-LYS-LYS-LYS-ARG-LYS-SER-LEU-ALA-LYS-ARG-ILE-ARG-GLU-ARG-CMF (E.C.3.6.5.2), entity 2 (polymer), 18 monomers, 2168.614 Da Detail

PNGKKKRKSL AKRIRERC

3. Calmodulin-1, PRO-ASN-GLY-LYS-LYS-LYS-ARG-LYS-SER-LEU-ALA-LYS-ARG-ILE-ARG-GLU-ARG-CMF (E.C.3.6.5.2), entity CA (non-polymer), 40.078 × 4 Da
4. Calmodulin-1, PRO-ASN-GLY-LYS-LYS-LYS-ARG-LYS-SER-LEU-ALA-LYS-ARG-ILE-ARG-GLU-ARG-CMF (E.C.3.6.5.2), entity ULW (non-polymer), 377.518 Da

Total weight

21256.664 Da

Max. entity weight

18550.22 Da

Source organism

Rattus norvegicus , Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 92.3 %, Completeness: 76.8 %, Completeness (bb): 74.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	76.8 % (1607 of 2092)	82.7 % (901 of 1090)	70.3 % (561 of 798)	71.1 % (145 of 204)
Backbone	74.3 % (811 of 1092)	88.4 % (335 of 379)	62.7 % (334 of 533)	78.9 % (142 of 180)
Sidechain	80.5 % (939 of 1167)	79.6 % (566 of 711)	85.6 % (370 of 432)	12.5 % (3 of 24)
Aromatic	78.2 % (97 of 124)	80.6 % (50 of 62)	75.8 % (47 of 62)
Methyl	97.4 % (152 of 156)	97.4 % (76 of 78)	97.4 % (76 of 78)

1. entity 1

MRGSHHHHHH GSMADQLTEE QIAEFKEAFS LFDKDGDGTI TTKELGTVMR SLGQNPTEAE LQDMINEVDA DGNGTIDFPE FLTMMARKMK DTDSEEEIRE AFRVFDKDGN GYISAAELRH VMTNLGEKLT DEEVDEMIRE ADIDGDGQVN YEEFVQMMTA KGGSL

2. entity 2

PNGKKKRKSL AKRIRERC

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.7, Details 0.8 mM [U-15N] Calmodulin, 0.8 mM NA RalA HVR, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	Calmodulin	[U-15N]	0.8 mM
2	RalA HVR	natural abundance	0.8 mM
3	NaCl	natural abundance	100 mM
4	CaCl2	natural abundance	8 mM
5	MgCl2	natural abundance	1 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.7, Details 1.1 mM U-15N, 13C Calmodulin, 1.1 mM NA RalA HVR, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
6	Calmodulin	[U-15N; U-13C]	1.1 mM
7	RalA HVR	natural abundance	1.1 mM
8	NaCl	natural abundance	100 mM
9	CaCl2	natural abundance	8 mM
10	MgCl2	natural abundance	1 mM

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.7, Details 1.0 mM Calmodulin, 1.0 mM 15N,13C RalA HVR, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
11	Calmodulin	natural abundance	1.0 mM
12	RalA HVR	[U-15N; U-13C]	1.0 mM
13	NaCl	natural abundance	100 mM
14	CaCl2	natural abundance	8 mM
15	MgCl2	natural abundance	1 mM

Release date

2021-03-29

Citation

Calmodulin extracts the Ras family protein RalA from lipid bilayers by engagement with two membrane-targeting motifs
Chamberlain, S.G., Gohlke, A., Shafiq, A., Squires, I.J., Owen, D., Mott, H.R.
Proc. Natl. Acad. Sci. U. S. A. (2021), 118, e2104219118-e2104219118, PubMed 34480001 , DOI 10.1073/pnas.2104219118 , Abstract

Related entities 1. Calmodulin-1, PRO-ASN-GLY-LYS-LYS-LYS-ARG-LYS-SER-LEU-ALA-LYS-ARG-ILE-ARG-GLU-ARG-CMF (E.C.3.6.5.2), entity 1, : 11 : 83 entities Detail

Related entities 2. Calmodulin-1, PRO-ASN-GLY-LYS-LYS-LYS-ARG-LYS-SER-LEU-ALA-LYS-ARG-ILE-ARG-GLU-ARG-CMF (E.C.3.6.5.2), entity 2, : 1 : 7 entities Detail

Interaction partners 2. Calmodulin-1, PRO-ASN-GLY-LYS-LYS-LYS-ARG-LYS-SER-LEU-ALA-LYS-ARG-ILE-ARG-GLU-ARG-CMF (E.C.3.6.5.2), entity 2, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 12 experiments Detail

1 3D 1H-15N NOESY

Instrument

Bruker AVANCE - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.7, Details 0.8 mM [U-15N] Calmodulin, 0.8 mM NA RalA HVR, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	Calmodulin	[U-15N]	0.8 mM
2	RalA HVR	natural abundance	0.8 mM
3	NaCl	natural abundance	100 mM
4	CaCl2	natural abundance	8 mM
5	MgCl2	natural abundance	1 mM

2 3D HNCA

Instrument

Bruker AVANCE - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.7, Details 1.1 mM U-15N, 13C Calmodulin, 1.1 mM NA RalA HVR, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
6	Calmodulin	[U-15N; U-13C]	1.1 mM
7	RalA HVR	natural abundance	1.1 mM
8	NaCl	natural abundance	100 mM
9	CaCl2	natural abundance	8 mM
10	MgCl2	natural abundance	1 mM

3 3D HNCACB

Instrument

Bruker AVANCE - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.7, Details 1.1 mM U-15N, 13C Calmodulin, 1.1 mM NA RalA HVR, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
6	Calmodulin	[U-15N; U-13C]	1.1 mM
7	RalA HVR	natural abundance	1.1 mM
8	NaCl	natural abundance	100 mM
9	CaCl2	natural abundance	8 mM
10	MgCl2	natural abundance	1 mM

4 3D 1H-13C NOESY

Instrument

Bruker AVANCE - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.7, Details 1.1 mM U-15N, 13C Calmodulin, 1.1 mM NA RalA HVR, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
6	Calmodulin	[U-15N; U-13C]	1.1 mM
7	RalA HVR	natural abundance	1.1 mM
8	NaCl	natural abundance	100 mM
9	CaCl2	natural abundance	8 mM
10	MgCl2	natural abundance	1 mM

5 3D HCCH-TOCSY

Instrument

Bruker AVANCE - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.7, Details 1.1 mM U-15N, 13C Calmodulin, 1.1 mM NA RalA HVR, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
6	Calmodulin	[U-15N; U-13C]	1.1 mM
7	RalA HVR	natural abundance	1.1 mM
8	NaCl	natural abundance	100 mM
9	CaCl2	natural abundance	8 mM
10	MgCl2	natural abundance	1 mM

6 2D 1H-13C HSQC

Instrument

Bruker AVANCE - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.7, Details 1.1 mM U-15N, 13C Calmodulin, 1.1 mM NA RalA HVR, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
6	Calmodulin	[U-15N; U-13C]	1.1 mM
7	RalA HVR	natural abundance	1.1 mM
8	NaCl	natural abundance	100 mM
9	CaCl2	natural abundance	8 mM
10	MgCl2	natural abundance	1 mM

7 3D 13C Filtered, 13C Edited NOESY

Instrument

Bruker AVANCE - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.7, Details 1.1 mM U-15N, 13C Calmodulin, 1.1 mM NA RalA HVR, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
6	Calmodulin	[U-15N; U-13C]	1.1 mM
7	RalA HVR	natural abundance	1.1 mM
8	NaCl	natural abundance	100 mM
9	CaCl2	natural abundance	8 mM
10	MgCl2	natural abundance	1 mM

8 3D 1H-13C NOESY

Instrument

Bruker AVANCE - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.7, Details 1.0 mM Calmodulin, 1.0 mM 15N,13C RalA HVR, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
11	Calmodulin	natural abundance	1.0 mM
12	RalA HVR	[U-15N; U-13C]	1.0 mM
13	NaCl	natural abundance	100 mM
14	CaCl2	natural abundance	8 mM
15	MgCl2	natural abundance	1 mM

9 2D 1H-13C HSQC

Instrument

Bruker AVANCE - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.7, Details 1.0 mM Calmodulin, 1.0 mM 15N,13C RalA HVR, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
11	Calmodulin	natural abundance	1.0 mM
12	RalA HVR	[U-15N; U-13C]	1.0 mM
13	NaCl	natural abundance	100 mM
14	CaCl2	natural abundance	8 mM
15	MgCl2	natural abundance	1 mM

10 3D 13C Filtered, 13C Edited NOESY

Instrument

Bruker AVANCE - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.7, Details 1.0 mM Calmodulin, 1.0 mM 15N,13C RalA HVR, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
11	Calmodulin	natural abundance	1.0 mM
12	RalA HVR	[U-15N; U-13C]	1.0 mM
13	NaCl	natural abundance	100 mM
14	CaCl2	natural abundance	8 mM
15	MgCl2	natural abundance	1 mM

11 3D HN(CO)CA

Instrument

Bruker AVANCE - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.7, Details 1.1 mM U-15N, 13C Calmodulin, 1.1 mM NA RalA HVR, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
6	Calmodulin	[U-15N; U-13C]	1.1 mM
7	RalA HVR	natural abundance	1.1 mM
8	NaCl	natural abundance	100 mM
9	CaCl2	natural abundance	8 mM
10	MgCl2	natural abundance	1 mM

12 3D HN(COCA)CB

Instrument

Bruker AVANCE - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.7, Details 1.1 mM U-15N, 13C Calmodulin, 1.1 mM NA RalA HVR, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
6	Calmodulin	[U-15N; U-13C]	1.1 mM
7	RalA HVR	natural abundance	1.1 mM
8	NaCl	natural abundance	100 mM
9	CaCl2	natural abundance	8 mM
10	MgCl2	natural abundance	1 mM

Chemical shift validation 6 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34608_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	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
3	1	CA	CALCIUM ION	None
4	1	ULW	[(2~{Z},6~{Z})-3,7,11-trimethyldodeca-2,6-dienyl] 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]propanoate	Assigned chemical shifts

Content subtype: bmr34608_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Error	1751		100.0 (chain: 2, length: 18), 90.3 (chain: 1, length: 165), 100.0 (chain: 4, length: 1)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Error
- Sequence coverage of experimental data
  - Entity_assembly_ID: 2, Chain length: 18, Sequence coverage: 100.0%
  - Entity_assembly_ID: 1, Chain length: 165, Sequence coverage: 90.3%
  - Entity_assembly_ID: 4, Chain length: 1, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 1087
  - ¹³C chemical shifts: 524
  - ¹⁵N chemical shifts: 140
- Completeness of assignments
  - Entity_assemble_ID: 2
  - Entity_assemble_ID: 1
  - Entity_assemble_ID: 4
- Redox state of CYS
- 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: 2
  - Chain_ID: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	133	87	65.4
¹³C chemical shifts	85	56	65.9
¹⁵N chemical shifts	22	6	27.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	36	28	77.8
¹³C chemical shifts	36	17	47.2
¹⁵N chemical shifts	17	6	35.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	97	59	60.8
¹³C chemical shifts	49	39	79.6
¹⁵N chemical shifts	5	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	5	5	100.0
¹³C chemical shifts	5	5	100.0

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
41	THR	HG1	5.716
114	SER	HG	5.797

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	957	805	84.1
¹³C chemical shifts	713	468	65.6
¹⁵N chemical shifts	182	134	73.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	343	302	88.0
¹³C chemical shifts	330	141	42.7
¹⁵N chemical shifts	163	131	80.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	614	503	81.9
¹³C chemical shifts	383	327	85.4
¹⁵N chemical shifts	19	3	15.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	84	80	95.2
¹³C chemical shifts	84	80	95.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	62	48	77.4
¹³C chemical shifts	62	45	72.6

Comp_index_ID	Comp_ID
1	ULW

Keywords SIGNALING PROTEIN, farnesylation; calcium binding

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Found 1 Document (0.64 seconds)

BMRB: 34608

Sample #1

Sample #2

Sample #3

Related entities 1. Calmodulin-1, PRO-ASN-GLY-LYS-LYS-LYS-ARG-LYS-SER-LEU-ALA-LYS-ARG-ILE-ARG-GLU-ARG-CMF (E.C.3.6.5.2), entity 1, : 11 : 83 entities Detail

Related entities 2. Calmodulin-1, PRO-ASN-GLY-LYS-LYS-LYS-ARG-LYS-SER-LEU-ALA-LYS-ARG-ILE-ARG-GLU-ARG-CMF (E.C.3.6.5.2), entity 2, : 1 : 7 entities Detail

Interaction partners 2. Calmodulin-1, PRO-ASN-GLY-LYS-LYS-LYS-ARG-LYS-SER-LEU-ALA-LYS-ARG-ILE-ARG-GLU-ARG-CMF (E.C.3.6.5.2), entity 2, : 1 interactors Detail

Experiments performed 12 experiments Detail

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Chemical shift validation 6 contents Detail