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BMRB: 15853

1F6G

Local and global structure of the monomeric subunit of the potassium channel KcsA probed by NMR

Authors

Chill, J.H., Louis, J.M., Delaglio, F., Bax, A.

Assembly

KcsA

Entity

1. KcsA (polymer, Thiol state: not present), 145 monomers, 16072.30 Da Detail

LLGRHGSALH WRAAGAATVL LVIVLLAGSY LAVLAERGAP GAQLITYPRA LWWSVETATT VGYGDLYPVT LWGRLVAVVV MVAGITSFGL VTAALATWFV GREQERRGHF VRHSEKAAEE AYTRTTRALH ERFDRLERML DDNRR

Formula weight

16072.3 Da

Source organism

Streptomyces coelicolor

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 98.6 %, Completeness: 42.4 %, Completeness (bb): 68.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	42.4 % (699 of 1647)	29.5 % (247 of 836)	48.0 % (317 of 661)	90.0 % (135 of 150)
Backbone	68.4 % (591 of 864)	53.7 % (161 of 300)	69.9 % (295 of 422)	95.1 % (135 of 142)
Sidechain	14.3 % (131 of 915)	16.0 % (86 of 536)	12.1 % (45 of 371)	0.0 % (0 of 8)
Aromatic	8.1 % (13 of 160)	10.0 % (8 of 80)	6.7 % (5 of 75)	0.0 % (0 of 5)
Methyl	17.8 % (38 of 214)	23.4 % (25 of 107)	12.1 % (13 of 107)

1. KcsA

LLGRHGSALH WRAAGAATVL LVIVLLAGSY LAVLAERGAP GAQLITYPRA LWWSVETATT VGYGDLYPVT LWGRLVAVVV MVAGITSFGL VTAALATWFV GREQERRGHF VRHSEKAAEE AYTRTTRALH ERFDRLERML DDNRR

Show sample condition

Sample

Solvent system SDS, Pressure 14.1 Torr, Temperature 323 K, pH 4.2

#	Name	Isotope labeling	Concentration
4	KcsA	natural abundance	0.5-0.6 mM
5	MES	natural abundance	25 mM
6	D2O	natural abundance	7 %

Chem. Shift Complete2

Sequence coverage: 100.0 %, Completeness: 44.6 %, Completeness (bb): 70.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	44.6 % (1470 of 3294)	31.4 % (525 of 1672)	50.7 % (670 of 1322)	91.7 % (275 of 300)
Backbone	70.5 % (1219 of 1728)	55.5 % (333 of 600)	72.4 % (611 of 844)	96.8 % (275 of 284)
Sidechain	16.6 % (304 of 1830)	17.9 % (192 of 1072)	15.1 % (112 of 742)	0.0 % (0 of 16)
Aromatic	8.1 % (26 of 320)	10.6 % (17 of 160)	6.0 % (9 of 150)	0.0 % (0 of 10)
Methyl	18.5 % (79 of 428)	22.4 % (48 of 214)	14.5 % (31 of 214)

1. KcsA

LLGRHGSALH WRAAGAATVL LVIVLLAGSY LAVLAERGAP GAQLITYPRA LWWSVETATT VGYGDLYPVT LWGRLVAVVV MVAGITSFGL VTAALATWFV GREQERRGHF VRHSEKAAEE AYTRTTRALH ERFDRLERML DDNRR

Show sample condition

Sample

Solvent system SDS, Pressure 14.1 Torr, Temperature 323 K, pH 6

#	Name	Isotope labeling	Concentration
7	KcsA	natural abundance	0.5-0.6 mM
8	TRIS	natural abundance	25 mM
9	D2O	natural abundance	7 %

Chem. Shift Complete3

Sequence coverage: 97.9 %, Completeness: 44.1 %, Completeness (bb): 70.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	44.1 % (2180 of 4941)	30.5 % (764 of 2508)	50.6 % (1004 of 1983)	91.6 % (412 of 450)
Backbone	70.8 % (1836 of 2592)	55.6 % (500 of 900)	73.1 % (925 of 1266)	96.5 % (411 of 426)
Sidechain	15.7 % (432 of 2745)	16.4 % (264 of 1608)	15.0 % (167 of 1113)	4.2 % (1 of 24)
Aromatic	9.2 % (44 of 480)	10.8 % (26 of 240)	7.6 % (17 of 225)	6.7 % (1 of 15)
Methyl	17.6 % (113 of 642)	21.2 % (68 of 321)	14.0 % (45 of 321)

1. KcsA

LLGRHGSALH WRAAGAATVL LVIVLLAGSY LAVLAERGAP GAQLITYPRA LWWSVETATT VGYGDLYPVT LWGRLVAVVV MVAGITSFGL VTAALATWFV GREQERRGHF VRHSEKAAEE AYTRTTRALH ERFDRLERML DDNRR

Show sample condition

Sample

Solvent system SDS, Pressure 14.1 Torr, Temperature 323 K, pH 8

#	Name	Isotope labeling	Concentration
7	KcsA	natural abundance	0.5-0.6 mM
8	TRIS	natural abundance	25 mM
9	D2O	natural abundance	7 %

Release date

2008-08-06

Citation

Local and global structure of the monomeric subunit of the potassium channel KcsA probed by NMR
Chill, J.H., Louis, J.M., Delaglio, F., Bax, A.
Biochim. Biophys. Acta (2007), 1768, 3260-3270, PubMed 17945182 , DOI 10.1016/j.bbamem.2007.08.006 , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 7428 released on 2008-08-06
Title Local and global structure of the monomeric subunit of the potassium channel KcsA probed by NMR

Related entities 1. KcsA, : 1 : 1 : 1 : 46 entities Detail

Experiments performed 9 experiments Detail

1 3D HNCO

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system SDS, Pressure 14.1 Torr, Temperature 323 K, pH 4.2

#	Name	Isotope labeling	Concentration
1	KcsA	natural abundance	0.5-0.6 mM
2	sodium formate	natural abundance	25 mM
3	D2O	natural abundance	7 %

2 3D HNCO

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system SDS, Pressure 14.1 Torr, Temperature 323 K, pH 6

#	Name	Isotope labeling	Concentration
4	KcsA	natural abundance	0.5-0.6 mM
5	MES	natural abundance	25 mM
6	D2O	natural abundance	7 %

3 3D HNCO

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system SDS, Pressure 14.1 Torr, Temperature 323 K, pH 8

#	Name	Isotope labeling	Concentration
7	KcsA	natural abundance	0.5-0.6 mM
8	TRIS	natural abundance	25 mM
9	D2O	natural abundance	7 %

4 3D HN(CA)CO

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system SDS, Pressure 14.1 Torr, Temperature 323 K, pH 4.2

#	Name	Isotope labeling	Concentration
1	KcsA	natural abundance	0.5-0.6 mM
2	sodium formate	natural abundance	25 mM
3	D2O	natural abundance	7 %

5 3D HN(CA)CO

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system SDS, Pressure 14.1 Torr, Temperature 323 K, pH 6

#	Name	Isotope labeling	Concentration
4	KcsA	natural abundance	0.5-0.6 mM
5	MES	natural abundance	25 mM
6	D2O	natural abundance	7 %

6 3D HN(CA)CO

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system SDS, Pressure 14.1 Torr, Temperature 323 K, pH 8

#	Name	Isotope labeling	Concentration
7	KcsA	natural abundance	0.5-0.6 mM
8	TRIS	natural abundance	25 mM
9	D2O	natural abundance	7 %

7 3D HNCA

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system SDS, Pressure 14.1 Torr, Temperature 323 K, pH 4.2

#	Name	Isotope labeling	Concentration
1	KcsA	natural abundance	0.5-0.6 mM
2	sodium formate	natural abundance	25 mM
3	D2O	natural abundance	7 %

8 3D HNCA

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system SDS, Pressure 14.1 Torr, Temperature 323 K, pH 6

#	Name	Isotope labeling	Concentration
4	KcsA	natural abundance	0.5-0.6 mM
5	MES	natural abundance	25 mM
6	D2O	natural abundance	7 %

9 3D HNCA

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system SDS, Pressure 14.1 Torr, Temperature 323 K, pH 8

#	Name	Isotope labeling	Concentration
7	KcsA	natural abundance	0.5-0.6 mM
8	TRIS	natural abundance	25 mM
9	D2O	natural abundance	7 %

Chemical shift validation 5 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr15853_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: bmr15853_3.str

#	Content subtype	Saveframe	Status	# of rows	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	535	97.2 (chain: 1, length: 145)
2	Assigned chemical shifts	assigned_chem_shift_list_2	OK	568	100.0 (chain: 1, length: 145)
3	Assigned chemical shifts	assigned_chem_shift_list_3	OK	544	96.6 (chain: 1, length: 145)
1	Chemical shift references	chemical_shift_reference_1	OK	3	No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 145, Sequence coverage: 97.2%
- Total number of assignments
  - ¹H chemical shifts: 133
  - ¹³C chemical shifts: 269
  - ¹⁵N chemical shifts: 133
- Completeness of assignments
  - Entity_assemble_ID: 1
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1
Saveframe: assigned_chem_shift_list_2
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 145, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 140
  - ¹³C chemical shifts: 288
  - ¹⁵N chemical shifts: 140
- Completeness of assignments
  - Entity_assemble_ID: 1
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1
Saveframe: assigned_chem_shift_list_3
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 145, Sequence coverage: 96.6%
- Total number of assignments
  - ¹H chemical shifts: 134
  - ¹³C chemical shifts: 276
  - ¹⁵N chemical shifts: 134
- Completeness of assignments
  - Entity_assemble_ID: 1
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	836	133	15.9
¹³C chemical shifts	661	269	40.7
¹⁵N chemical shifts	166	133	80.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	300	133	44.3
¹³C chemical shifts	290	269	92.8
¹⁵N chemical shifts	142	133	93.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	536	0	0.0
¹³C chemical shifts	371	0	0.0
¹⁵N chemical shifts	24	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	109	0	0.0
¹³C chemical shifts	109	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	80	0	0.0
¹³C chemical shifts	75	0	0.0
¹⁵N chemical shifts	5	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	836	140	16.7
¹³C chemical shifts	661	288	43.6
¹⁵N chemical shifts	166	140	84.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	300	140	46.7
¹³C chemical shifts	290	288	99.3
¹⁵N chemical shifts	142	140	98.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	536	0	0.0
¹³C chemical shifts	371	0	0.0
¹⁵N chemical shifts	24	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	109	0	0.0
¹³C chemical shifts	109	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	80	0	0.0
¹³C chemical shifts	75	0	0.0
¹⁵N chemical shifts	5	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	836	134	16.0
¹³C chemical shifts	661	276	41.8
¹⁵N chemical shifts	166	134	80.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	300	134	44.7
¹³C chemical shifts	290	276	95.2
¹⁵N chemical shifts	142	134	94.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	536	0	0.0
¹³C chemical shifts	371	0	0.0
¹⁵N chemical shifts	24	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	109	0	0.0
¹³C chemical shifts	109	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	80	0	0.0
¹³C chemical shifts	75	0	0.0
¹⁵N chemical shifts	5	0	0.0

Keywords KcsA, NMR, potassium channel

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Found 1 Document (0.525 seconds)

BMRB: 15853

Sample

Sample

Sample

Entries sharing articles BMRB: 1 entries Detail

Related entities 1. KcsA, : 1 : 1 : 1 : 46 entities Detail

Experiments performed 9 experiments Detail

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Chemical shift validation 5 contents Detail