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Found 1 Document (0.552 seconds)

BMRB: 17991

2LKG

WSA major conformation

Authors

Xu, Y., Mowrey, D., Cui, T., Perez-Aguilar, J.M., Saven, J.G., Eckenhoff, R., Tang, P.

Assembly

Nicotinic Acetylcholine Receptor

Entity

1. Nicotinic Acetylcholine Receptor (polymer, Thiol state: all free), 140 monomers, 15532.91 Da Detail

MAHHHHHHAM VIDHILKCVF DKICKIGTES VEAGRLIELS QEGGGGGGPL YFVVNVIEPC KKFSELTGLV FYLPTDSGEK MTESKSVLKS LTEKLKKIVE LIPSTSSAVP LIGKYMLFTK EFVESSIKIT EEVINTHHRS

Formula weight

15532.91 Da

Source organism

Torpedo marmorata

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.3 %, Completeness: 71.9 %, Completeness (bb): 76.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	71.9 % (1181 of 1643)	81.4 % (691 of 849)	55.3 % (363 of 656)	92.0 % (127 of 138)
Backbone	76.4 % (634 of 830)	89.9 % (257 of 286)	62.1 % (254 of 409)	91.1 % (123 of 135)
Sidechain	68.8 % (648 of 942)	76.4 % (430 of 563)	57.2 % (215 of 376)	100.0 % (3 of 3)
Aromatic	30.8 % (37 of 120)	51.7 % (31 of 60)	10.0 % (6 of 60)
Methyl	73.0 % (127 of 174)	85.1 % (74 of 87)	60.9 % (53 of 87)

1. entity

MAHHHHHHAM VIDHILKCVF DKICKIGTES VEAGRLIELS QEGGGGGGPL YFVVNVIEPC KKFSELTGLV FYLPTDSGEK MTESKSVLKS LTEKLKKIVE LIPSTSSAVP LIGKYMLFTK EFVESSIKIT EEVINTHHRS

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 5.8

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	20 mM
2	LPPG	natural abundance	2 %
3	D2O	[U-100% 2H]	10 %
4	H2O	[U-100% 2H]	90 %

Protein Blocks Logo

Calculated from 15 models in PDB: 2LKG, Strand ID: A Detail

Release date

2012-01-08

Citation

NMR structure and dynamics of a designed water-soluble transmembrane domain of nicotinic acetylcholine receptor
Cui, T., Mowrey, D., Bondarenko, V., Tillman, T., Ma, D., Landrum, E., Perez-Aguilar, J., He, J., Wang, W., Saven, J.G., Eckenhoff, R.G., Tang, P., Xu, Y.
Biochim. Biophys. Acta (2012), 1818, 617-626, PubMed 22155685 , DOI 10.1016/j.bbamem.2011.11.021 , Abstract

Related entities 1. Nicotinic Acetylcholine Receptor, : 1 : 1 : 25 entities Detail

Experiments performed 7 experiments Detail

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_17991_2lkg.nef
Input source #2: Coordindates	2lkg.cif
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

Sequence alignments

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

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

-------110-------120-------130-------140
LIPSTSSAVPLIGKYMLFTKEFVESSIKITEEVINTHHRS
||||||||||||||||||||||||||||||||||||||||
LIPSTSSAVPLIGKYMLFTKEFVESSIKITEEVINTHHRS

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	140	0	0	100.0

Content subtype: combined_17991_2lkg.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1150		92.9 (chain: A, length: 140)
1	Distance restraints	DYANA/DIANA_distance_constraints_4	Warning	1780 (1)	noe	93.6 (chain: A, length: 140)
2	Distance restraints	DYANA/DIANA_distance_constraints_3	Warning	64 (1)	hbond	39.3 (chain: A, length: 140)
1	Dihedral angle restraints	DYANA/DIANA_dihedral_2	OK	211 (211)	.	82.1 (chain: A, length: 140)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 140, Sequence coverage: 92.9%
- Total number of assignments
  - ¹H chemical shifts: 689
  - ¹³C chemical shifts: 334
  - ¹⁵N chemical shifts: 127
- Completeness of assignments
  - Entity_assemble_ID: A
- Redox state of CYS
- Peptide bond of PRO
- 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

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
35	ARG	HH11	6.812
35	ARG	NH1	87.786
130	THR	HG1	1.222

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	849	687	80.9
¹³C chemical shifts	656	334	50.9
¹⁵N chemical shifts	140	126	90.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	286	256	89.5
¹³C chemical shifts	280	129	46.1
¹⁵N chemical shifts	135	122	90.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	563	431	76.6
¹³C chemical shifts	376	205	54.5
¹⁵N chemical shifts	5	4	80.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	91	78	85.7
¹³C chemical shifts	91	54	59.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	60	27	45.0
¹³C chemical shifts	60	1	1.7

Distance restraints

Saveframe: DYANA/DIANA_distance_constraints_4
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 140, Sequence coverage: 93.6%
- Total number of restraints: 1763
- Weight of restraints: 1.0 (1763)
- Potential type of restraints: upper-bound-parabolic (1763)
- Range of distance target values: 2.4, 15.0 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map
- Saveframe: DYANA/DIANA_distance_constraints_3
  - Status: Warning
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 140, Sequence coverage: 39.3%
  - Total number of restraints: 64
  - Weight of restraints: 1.0 (64)
  - Potential type of restraints: upper-bound-parabolic (64)
  - Range of distance target values: 1.79, 2.68 (Å)
  - Histogram of distance target values
  - Distance restraints per residue
    - Chain_ID: A
  - Distance restraints on contact map

Dihedral angle restraints

Saveframe: DYANA/DIANA_dihedral_2
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 140, Sequence coverage: 82.1%
- Total number of restraints: 211
- Total number of restraints per polymer type: 211
- Weight of restraints: 1.0 (211)
- Potential type of restraints: square-well-parabolic (211)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords acetylcholine receptor, NMR, transmembrane domain

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Found 1 Document (0.552 seconds)

BMRB: 17991

Sample

Related entities 1. Nicotinic Acetylcholine Receptor, : 1 : 1 : 25 entities Detail

Experiments performed 7 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

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Sample

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NMR combined restraints 5 contents Detail