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Found 1 Document (0.617 seconds)

BMRB: 50135

7SWJ

KirBac1.1_POPC

Authors

Amani, R., Wylie, B.J.

Assembly

KirBac1.1 1p7b

Entity

1. KirBac1.1 1p7b (polymer, Thiol state: not reported), 345 monomers, 38585.62 × 2 Da Detail

MNVDPFSPHS SDSFAQAASP ARKPPRGGRR IWSGTREVIA YGMPASVWRD LYYWALKVSW PVFFASLAAL FVVNNTLFAL LYQLGDAPIA NQSPPGFVGA FFFSVETLAT VGYGDMHPQT VYAHAIATLE CFVGMSGIAL STGLVFARFA RPRAKIMFAR HAIVRPFNGR MTLMVRAANA RQNVIAEARA KMRLMRREHS SEGYSLMKIH DLKLVRNEHP IFLLGWNMMH VIDESSPLFG ETPESLAEGR AMLLVMIEGS DETTAQVMQA RHAWEHDDIR WHHRYVDLMS DVDGMTHIDY TRFNDTEPVE PPGAAPDAQA FAAKPGEGDA RPVPRGSRSH HHHHH

Total weight

77171.24 Da

Max. entity weight

38585.62 Da

Source organism

Burkholderia pseudomallei

Exptl. method

solid-state NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 92.2 %, Completeness: 81.2 %, Completeness (bb): 91.5 % Detail

Polymer type: polypeptide(L)

	Total	¹³C	¹⁵N
All	81.2 % (1559 of 1919)	80.0 % (1257 of 1572)	87.0 % (302 of 347)
Backbone	91.5 % (1220 of 1334)	91.1 % (922 of 1012)	92.5 % (298 of 322)
Sidechain	69.9 % (634 of 907)	71.4 % (630 of 882)	16.0 % (4 of 25)
Aromatic	9.5 % (20 of 211)	9.3 % (19 of 204)	14.3 % (1 of 7)
Methyl	91.1 % (164 of 180)	91.1 % (164 of 180)

1. entity 1

Show sample condition

Sample

Solvent system 100% H2O, Pressure 1 atm, Temperature 253 K, pH 7.5, Details KirBac1.1 in POPC bilayers

#	Name	Isotope labeling	Concentration
1	H2O	natural abundance	55.5 M
2	KCl	natural abundance	50 mM
3	TRIS	natural abundance	50 mM
4	sodium azide	natural abundance	0.02 %
5	POPC	natural abundance	50 %
6	KirBac1.1	[U-100% 13C; U-100% 15N]	50 %

Chem. Shift Complete2

Sequence coverage: 26.4 %, Completeness: 50.6 %, Completeness (bb): 57.8 % Detail

Polymer type: polypeptide(L)

	Total	¹³C	¹⁵N
All	50.6 % (1942 of 3838)	49.5 % (1556 of 3144)	55.6 % (386 of 694)
Backbone	57.8 % (1541 of 2668)	57.3 % (1159 of 2024)	59.3 % (382 of 644)
Sidechain	42.7 % (774 of 1814)	43.7 % (770 of 1764)	8.0 % (4 of 50)
Aromatic	5.0 % (21 of 422)	4.9 % (20 of 408)	7.1 % (1 of 14)
Methyl	55.3 % (199 of 360)	55.3 % (199 of 360)

1. entity 1

Show sample condition

Sample

Solvent system 100% H2O, Pressure 1 atm, Temperature 253 K, pH 7.5, Details KirBac1.1 in POPC bilayers

#	Name	Isotope labeling	Concentration
1	H2O	natural abundance	55.5 M
2	KCl	natural abundance	50 mM
3	TRIS	natural abundance	50 mM
4	sodium azide	natural abundance	0.02 %
5	POPC	natural abundance	50 %
6	KirBac1.1	[U-100% 13C; U-100% 15N]	50 %

Release date

2019-12-16

Citation

Conformational changes upon gating of KirBac1.1 into an open-activated state revealed by solid-state NMR and functional assays
Amani, R., Borcik, C., Khan, N., Versteeg, D., Yekefallah, M., Do, H., Coats, H., Wylie, B.
Proc. Natl. Acad. Sci. U. S. A. (2020), 117, 2938-2947, PubMed 31980523 , DOI 10.1073/pnas.1915010117 , Abstract

Related entities 1. KirBac1.1 1p7b, : 1 : 2 : 62 entities Detail

Experiments performed 4 experiments Detail

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr50135_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: bmr50135_3.str

#	Content subtype	Saveframe	Status	# of rows	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1566	87.0 (chain: 1, length: 345)
2	Assigned chemical shifts	assigned_chemical_shifts_2	Warning	17	0.9 (chain: 1, length: 345)
1	Chemical shift references	chem_shift_reference_1	OK	2	No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1

Status: Warning

Sequence coverage of experimental data

Entity_assembly_ID: 1, Chain length: 345, Sequence coverage: 87.0%

--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
MNVDPFSPHSSDSFAQAASPARKPPRGGRRIWSGTREVIAYGMPASVWRDLYYWALKVSWPVFFASLAALFVVNNTLFALLYQLGDAPIANQSPPGFVGA
 |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
.NVDPFSPHSSDSFAQAASPARKPPRGGRRIWSGTREVIAYGMPASVWRDLYYWALKVSWPVFFASLAALFVVNNTLFALLYQLGDAPIANQSPPGFVGA
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100

-------110-------120-------130-------140-------150-------160-------170-------180-------190-------200
FFFSVETLATVGYGDMHPQTVYAHAIATLECFVGMSGIALSTGLVFARFARPRAKIMFARHAIVRPFNGRMTLMVRAANARQNVIAEARAKMRLMRREHS
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FFFSVETLATVGYGDMHPQTVYAHAIATLECFVGMSGIALSTGLVFARFARPRAKIMFARHAIVRPFNGRMTLMVRAANARQNVIAEARAKMRLMRREHS
-------110-------120-------130-------140-------150-------160-------170-------180-------190-------200

-------210-------220-------230-------240-------250-------260-------270-------280-------290-------300
SEGYSLMKIHDLKLVRNEHPIFLLGWNMMHVIDESSPLFGETPESLAEGRAMLLVMIEGSDETTAQVMQARHAWEHDDIRWHHRYVDLMSDVDGMTHIDY
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SEGYSLMKIHDLKLVRNEHPIFLLGWNMMHVIDESSPLFGETPESLAEGRAMLLVMIEGSDETTAQVMQARHAWEHDDIRWHHRYVDLMSDVDGMTHIDY
-------210-------220-------230-------240-------250-------260-------270-------280-------290-------300

-------310-------320-------330-------340-----
TRFNDTEPVEPPGAAPDAQAFAAKPGEGDARPVPRGSRSHHHHHH
|                                            
T                                            
-

Total number of assignments
- ¹³C chemical shifts: 1266
- ¹⁵N chemical shifts: 300

Completeness of assignments

Entity_assemble_ID: 1

Excluded Atom_ID in statistics

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
2	ASN	CG	179.531
5	PRO	N	135.6
6	PHE	CG	138.771
8	PRO	N	130.906
9	HIS	CG	132.712
12	ASP	CG	178.358
16	GLN	CD	180.523
20	PRO	N	130.79
24	PRO	N	138.058
25	PRO	N	133.9
32	TRP	CG	111.304
37	GLU	CD	183.847
41	TYR	CG	134.765
44	PRO	N	138.867
48	TRP	CG	110.718
50	ASP	CG	179.005
52	TYR	CG	131.497
53	TYR	CG	132.2
54	TRP	CG	111.293
60	TRP	CG	105.8
61	PRO	N	138.7
71	PHE	CG	139.7
78	PHE	CG	137.6
82	TYR	CG	139.3
83	GLN	CD	180.8
88	PRO	N	132.0
91	ASN	CG	178.7
92	GLN	CD	178.8
94	PRO	N	137.0
95	PRO	N	129.3
101	PHE	CG	131.9
102	PHE	CG	130.9
103	PHE	CG	137.9
106	GLU	CD	182.8
113	TYR	CG	130.0
115	ASP	CG	178.9
117	HIS	CG	128.4
118	PRO	N	137.4
122	TYR	CG	130.3
130	GLU	CD	180.1
146	PHE	CG	137.7
149	PHE	CG	136.5
152	PRO	N	135.521
158	PHE	CG	139.6
161	HIS	CG	128.3
166	PRO	N	132.0
167	PHE	CG	140.0
168	ASN	CG	176.001
179	ASN	CG	178.5
182	GLN	CD	180.609
183	ASN	CG	180.0
187	GLU	CD	182.302
198	GLU	CD	182.4
199	HIS	CG	131.729
202	GLU	CD	182.8
204	TYR	CG	131.333
210	HIS	CG	130.7
211	ASP	CG	178.93
217	ASN	CG	175.101
218	GLU	CD	181.018
219	HIS	CG	130.6
220	PRO	N	142.4
222	PHE	CG	137.7
227	ASN	CG	174.681
230	HIS	CG	133.915
233	ASP	CG	178.916
234	GLU	CD	182.814
237	PRO	N	134.601
239	PHE	CG	132.307
241	GLU	CD	180.1
243	PRO	N	139.537
244	GLU	CD	180.71
248	GLU	CD	181.916
258	GLU	CD	182.631
261	ASP	CG	179.304
262	GLU	CD	183.004
266	GLN	CD	180.402
269	GLN	CD	179.4
272	HIS	CG	130.1
274	TRP	CG	111.1
275	GLU	CD	182.209
276	HIS	CG	133.4
277	ASP	CG	176.0
278	ASP	CG	178.6
285	TYR	CG	132.2
287	ASP	CG	176.719
291	ASP	CG	176.1
293	ASP	CG	174.502
297	HIS	CG	130.304
299	ASP	CG	174.6
300	TYR	CG	131.103

All atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	1572	1191	75.8
¹⁵N chemical shifts	374	284	75.9

Backbone atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	690	594	86.1
¹⁵N chemical shifts	322	284	88.2

Side chain atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	882	597	67.7
¹⁵N chemical shifts	52	0	0.0

Methyl group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	197	176	89.3

Aromatic group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	204	12	5.9
¹⁵N chemical shifts	7	0	0.0

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: 1

Saveframe: assigned_chemical_shifts_2
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 345, Sequence coverage: 0.9%
- Total number of assignments
  - ¹³C chemical shifts: 14
  - ¹⁵N chemical shifts: 3
- Completeness of assignments
- 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

Keywords Solid State NMR, Potassium channel, Allostery, Lipid Activation, Membrane Protein

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Found 1 Document (0.617 seconds)

BMRB: 50135

Sample

Sample

Related entities 1. KirBac1.1 1p7b, : 1 : 2 : 62 entities Detail

Experiments performed 4 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Chemical shift validation 4 contents Detail