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Found 1 Document (1.136 seconds)

BMRB: 25513

2N02

SOLUTION STRUCTURE OF THE A147T VARIANT OF THE MITOCHONDRIAL TRANSLOCATOR PROTEIN (TSPO) IN COMPLEX WITH PK11195

Authors

Jaremko, M., Jaremko, L., Giller, K., Becker, S., Zweckstetter, M.

Assembly

TSPO A147T variant in complex with PK11195

Entity

1. TRANSLOCATOR PROTEIN A147T (polymer, Thiol state: not present), 169 monomers, 18814.57 Da Detail

MPESWVPAVG LTLVPSLGGF MGAYFVRGEG LRWYAGLQKP SWHPPRWTLA PIWGTLYSAM GYGSYIVWKE LGGFTEDAMV PLGLYTGQLA LNWAWPPIFF GARQMGWALA DLLLVSGVAT ATTLAWHRVS PPAARLLYPY LAWLAFTTVL NYYVWRDNSG RRGGSRLAE

2. N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide (non-polymer), 352.857 Da

Total weight

19167.428 Da

Max. entity weight

18814.57 Da

Source organism

Mus musculus

Exptl. method

solution NMR

Refine. method

SIMULATED ANNEALING

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.4 %, Completeness: 86.3 %, Completeness (bb): 82.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	86.3 % (1718 of 1991)	93.0 % (945 of 1016)	75.4 % (604 of 801)	97.1 % (169 of 174)
Backbone	82.8 % (818 of 988)	96.5 % (333 of 345)	68.6 % (334 of 487)	96.8 % (151 of 156)
Sidechain	90.9 % (1047 of 1152)	91.2 % (612 of 671)	90.1 % (417 of 463)	100.0 % (18 of 18)
Aromatic	72.6 % (212 of 292)	72.6 % (106 of 146)	70.1 % (94 of 134)	100.0 % (12 of 12)
Methyl	98.1 % (202 of 206)	98.1 % (101 of 103)	98.1 % (101 of 103)

1. TRANSLOCATOR PROTEIN A147T

MPESWVPAVG LTLVPSLGGF MGAYFVRGEG LRWYAGLQKP SWHPPRWTLA PIWGTLYSAM GYGSYIVWKE LGGFTEDAMV PLGLYTGQLA LNWAWPPIFF GARQMGWALA DLLLVSGVAT ATTLAWHRVS PPAARLLYPY LAWLAFTTVL NYYVWRDNSG RRGGSRLAE

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 315 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	TRANSLOCATOR PROTEIN A147T	[U-100% 13C; U-100% 15N]	protein	0.3 ~ 0.7 mM
2	(R)-PK11195	natural abundance		2.9 mM
3	2H-DPC	[U-2H]		2 %
4	H2O	natural abundance	solvent	90 %
5	D2O	[U-2H]	solvent	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 315 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
6	TRANSLOCATOR PROTEIN A147T	[U-100% 13C; U-100% 15N; U-80% 2H]	protein	0.3 ~ 0.7 mM
7	(R)-PK11195	natural abundance		2.9 mM
8	2H-DPC	[U-2H]		2 %
9	H2O	natural abundance	solvent	90 %
10	D2O	[U-2H]	solvent	10 %

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 315 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
11	TRANSLOCATOR PROTEIN A147T	[U-100% 13C; U-100% 15N]	protein	0.3 ~ 0.7 mM
12	(R)-PK11195	natural abundance		2.9 mM
13	2H-DPC	[U-2H]		2 %
14	D2O	[U-2H]	solvent	100 %

Protein Blocks Logo

Calculated from 20 models in PDB: 2N02, Strand ID: A Detail

Release date

2015-06-07

Citation

Structural Integrity of the A147T Polymorph of Mammalian TSPO
Jaremko, M., Jaremko, L., Giller, K., Becker, S., Zweckstetter, M.
Chembiochem. (2015), 16, 1483-1489, PubMed 25974690 , DOI 10.1002/cbic.201500217 , Abstract

Related entities 1. TRANSLOCATOR PROTEIN A147T, : 1 : 3 : 18 entities Detail

Interaction partners 1. TRANSLOCATOR PROTEIN A147T, : 2 interactors Detail

More details for 2 interactors identified by 2 citations

Experiments performed 14 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 315 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
6	TRANSLOCATOR PROTEIN A147T	[U-100% 13C; U-100% 15N; U-80% 2H]	protein	0.3 ~ 0.7 mM
7	(R)-PK11195	natural abundance		2.9 mM
8	2H-DPC	[U-2H]		2 %
9	H2O	natural abundance	solvent	90 %
10	D2O	[U-2H]	solvent	10 %

2 2D 1H-13C HSQC ALIPHATIC

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 315 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
6	TRANSLOCATOR PROTEIN A147T	[U-100% 13C; U-100% 15N; U-80% 2H]	protein	0.3 ~ 0.7 mM
7	(R)-PK11195	natural abundance		2.9 mM
8	2H-DPC	[U-2H]		2 %
9	H2O	natural abundance	solvent	90 %
10	D2O	[U-2H]	solvent	10 %

3 2D 1H-13C HSQC AROMATIC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 315 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
6	TRANSLOCATOR PROTEIN A147T	[U-100% 13C; U-100% 15N; U-80% 2H]	protein	0.3 ~ 0.7 mM
7	(R)-PK11195	natural abundance		2.9 mM
8	2H-DPC	[U-2H]		2 %
9	H2O	natural abundance	solvent	90 %
10	D2O	[U-2H]	solvent	10 %

4 3D CBCA(CO)NH

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 315 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	TRANSLOCATOR PROTEIN A147T	[U-100% 13C; U-100% 15N]	protein	0.3 ~ 0.7 mM
2	(R)-PK11195	natural abundance		2.9 mM
3	2H-DPC	[U-2H]		2 %
4	H2O	natural abundance	solvent	90 %
5	D2O	[U-2H]	solvent	10 %

5 3D HNCO

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 315 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	TRANSLOCATOR PROTEIN A147T	[U-100% 13C; U-100% 15N]	protein	0.3 ~ 0.7 mM
2	(R)-PK11195	natural abundance		2.9 mM
3	2H-DPC	[U-2H]		2 %
4	H2O	natural abundance	solvent	90 %
5	D2O	[U-2H]	solvent	10 %

6 3D HNCA

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 315 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	TRANSLOCATOR PROTEIN A147T	[U-100% 13C; U-100% 15N]	protein	0.3 ~ 0.7 mM
2	(R)-PK11195	natural abundance		2.9 mM
3	2H-DPC	[U-2H]		2 %
4	H2O	natural abundance	solvent	90 %
5	D2O	[U-2H]	solvent	10 %

7 3D HNCACB

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 315 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	TRANSLOCATOR PROTEIN A147T	[U-100% 13C; U-100% 15N]	protein	0.3 ~ 0.7 mM
2	(R)-PK11195	natural abundance		2.9 mM
3	2H-DPC	[U-2H]		2 %
4	H2O	natural abundance	solvent	90 %
5	D2O	[U-2H]	solvent	10 %

8 3D HN(CO)CA

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 315 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	TRANSLOCATOR PROTEIN A147T	[U-100% 13C; U-100% 15N]	protein	0.3 ~ 0.7 mM
2	(R)-PK11195	natural abundance		2.9 mM
3	2H-DPC	[U-2H]		2 %
4	H2O	natural abundance	solvent	90 %
5	D2O	[U-2H]	solvent	10 %

9 3D HCCH-TOCSY

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 315 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
11	TRANSLOCATOR PROTEIN A147T	[U-100% 13C; U-100% 15N]	protein	0.3 ~ 0.7 mM
12	(R)-PK11195	natural abundance		2.9 mM
13	2H-DPC	[U-2H]		2 %
14	D2O	[U-2H]	solvent	100 %

10 3D 1H-15N NOESY

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 315 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
6	TRANSLOCATOR PROTEIN A147T	[U-100% 13C; U-100% 15N; U-80% 2H]	protein	0.3 ~ 0.7 mM
7	(R)-PK11195	natural abundance		2.9 mM
8	2H-DPC	[U-2H]		2 %
9	H2O	natural abundance	solvent	90 %
10	D2O	[U-2H]	solvent	10 %

11 3D 1H-13C NOESY ALIPHATIC

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 315 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
6	TRANSLOCATOR PROTEIN A147T	[U-100% 13C; U-100% 15N; U-80% 2H]	protein	0.3 ~ 0.7 mM
7	(R)-PK11195	natural abundance		2.9 mM
8	2H-DPC	[U-2H]		2 %
9	H2O	natural abundance	solvent	90 %
10	D2O	[U-2H]	solvent	10 %

12 3D 1H- 13C NOESY AROMATIC

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 315 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
6	TRANSLOCATOR PROTEIN A147T	[U-100% 13C; U-100% 15N; U-80% 2H]	protein	0.3 ~ 0.7 mM
7	(R)-PK11195	natural abundance		2.9 mM
8	2H-DPC	[U-2H]		2 %
9	H2O	natural abundance	solvent	90 %
10	D2O	[U-2H]	solvent	10 %

13 3D HN(CA)CB

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 315 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
6	TRANSLOCATOR PROTEIN A147T	[U-100% 13C; U-100% 15N; U-80% 2H]	protein	0.3 ~ 0.7 mM
7	(R)-PK11195	natural abundance		2.9 mM
8	2H-DPC	[U-2H]		2 %
9	H2O	natural abundance	solvent	90 %
10	D2O	[U-2H]	solvent	10 %

14 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 315 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
11	TRANSLOCATOR PROTEIN A147T	[U-100% 13C; U-100% 15N]	protein	0.3 ~ 0.7 mM
12	(R)-PK11195	natural abundance		2.9 mM
13	2H-DPC	[U-2H]		2 %
14	D2O	[U-2H]	solvent	100 %

nullKeywords A147T, MEMBRANE PROTEIN, MITOCHONDRIA, PERIPHERAL BENZODIAZEPINE RECEPTOR, PK11195, PROTEIN-LIGAND COMPLEX, TRANSLOCATOR PROTEIN (TSPO)

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Found 1 Document (1.136 seconds)

BMRB: 25513

Sample #1

Sample #2

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Related entities 1. TRANSLOCATOR PROTEIN A147T, : 1 : 3 : 18 entities Detail

Interaction partners 1. TRANSLOCATOR PROTEIN A147T, : 2 interactors Detail

Experiments performed 14 experiments Detail

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