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Found 1 Document (2.113 seconds)

BMRB: 25240

2MV2

Solution structure of Twinstar from Drosophila melanogastor

Authors

Shukla, V.KUMAR., Maheshwari, D., Kumar, D., Arora, A.

Assembly

Twinstar from Drosophila melanogastor

Entity

1. Twinstar from Drosophila melanogastor (polymer), 148 monomers, 17153.29 Da Detail

MASGVTVSDV CKTTYEEIKK DKKHRYVIFY IRDEKQIDVE TVADRNAEYD QFLEDIQKCG PGECRYGLFD FEYMHQCQGT SESSKKQKLF LMSWCPDTAK VKKKMLYSSS FDALKKSLVG VQKYIQATDL SEASREAVEE KLRATDRQ

Formula weight

17153.29 Da

Source organism

Drosophila melanogaster

Exptl. method

solution NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 94.9 %, Completeness (bb): 99.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	94.9 % (1679 of 1770)	94.6 % (879 of 929)	95.3 % (652 of 684)	94.3 % (148 of 157)
Backbone	99.4 % (879 of 884)	100.0 % (300 of 300)	98.9 % (433 of 438)	100.0 % (146 of 146)
Sidechain	91.4 % (940 of 1028)	92.1 % (579 of 629)	92.5 % (359 of 388)	18.2 % (2 of 11)
Aromatic	74.3 % (107 of 144)	76.4 % (55 of 72)	73.2 % (52 of 71)	0.0 % (0 of 1)
Methyl	100.0 % (134 of 134)	100.0 % (67 of 67)	100.0 % (67 of 67)

1. entity

MASGVTVSDV CKTTYEEIKK DKKHRYVIFY IRDEKQIDVE TVADRNAEYD QFLEDIQKCG PGECRYGLFD FEYMHQCQGT SESSKKQKLF LMSWCPDTAK VKKKMLYSSS FDALKKSLVG VQKYIQATDL SEASREAVEE KLRATDRQ

Show sample condition

Sample #1

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	ammonium sulfate	[U-99% 15N]	0.1 % w/v
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM
4	DTT	natural abundance	1 mM
5	sodium azide	natural abundance	0.1 % w/v

Sample #2

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
6	ammonium sulfate	[U-99% 15N]	0.1 % w/v
7	Glucose	[U-100% 13C]	0.2 % w/v
8	sodium phosphate	natural abundance	20 mM
9	sodium chloride	natural abundance	50 mM
10	sodium azide	natural abundance	0.1 % w/v
11	DTT	natural abundance	1 mM

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
12	ammonium sulfate	[U-99% 15N]	0.1 % w/v
13	Glucose	[U-100% 13C]	0.2 % w/v
14	sodium phosphate	natural abundance	20 mM
15	sodium chloride	natural abundance	50 mM
16	sodium azide	natural abundance	0.1 % w/v
17	DTT	natural abundance	1 mM

Protein Blocks Logo

Calculated from 10 models in PDB: 2MV2, Strand ID: A Detail

Release date

2015-09-20

Citation

Solution stucture and dynamics of Twinstar from Drosophila melanogastor
Shukla, V.KUMAR., Maheshwari, D., Jain, A., Tripathi, S., Kumar, D., Arora, A.
Not known

Related entities 1. Twinstar from Drosophila melanogastor, : 1 : 3 : 201 entities Detail

Interaction partners 1. Twinstar from Drosophila melanogastor, : 45 interactors Detail

More details for 45 interactors identified by 3 citations

Experiments performed 15 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	ammonium sulfate	[U-99% 15N]	0.1 % w/v
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM
4	DTT	natural abundance	1 mM
5	sodium azide	natural abundance	0.1 % w/v

2 3D CBCA(CO)NH

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
6	ammonium sulfate	[U-99% 15N]	0.1 % w/v
7	Glucose	[U-100% 13C]	0.2 % w/v
8	sodium phosphate	natural abundance	20 mM
9	sodium chloride	natural abundance	50 mM
10	sodium azide	natural abundance	0.1 % w/v
11	DTT	natural abundance	1 mM

3 HNCANH

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
6	ammonium sulfate	[U-99% 15N]	0.1 % w/v
7	Glucose	[U-100% 13C]	0.2 % w/v
8	sodium phosphate	natural abundance	20 mM
9	sodium chloride	natural abundance	50 mM
10	sodium azide	natural abundance	0.1 % w/v
11	DTT	natural abundance	1 mM

4 3D HNCA

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
6	ammonium sulfate	[U-99% 15N]	0.1 % w/v
7	Glucose	[U-100% 13C]	0.2 % w/v
8	sodium phosphate	natural abundance	20 mM
9	sodium chloride	natural abundance	50 mM
10	sodium azide	natural abundance	0.1 % w/v
11	DTT	natural abundance	1 mM

5 3D HNCO

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
6	ammonium sulfate	[U-99% 15N]	0.1 % w/v
7	Glucose	[U-100% 13C]	0.2 % w/v
8	sodium phosphate	natural abundance	20 mM
9	sodium chloride	natural abundance	50 mM
10	sodium azide	natural abundance	0.1 % w/v
11	DTT	natural abundance	1 mM

6 3D H(CCO)NH

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
6	ammonium sulfate	[U-99% 15N]	0.1 % w/v
7	Glucose	[U-100% 13C]	0.2 % w/v
8	sodium phosphate	natural abundance	20 mM
9	sodium chloride	natural abundance	50 mM
10	sodium azide	natural abundance	0.1 % w/v
11	DTT	natural abundance	1 mM

7 3D C(CO)NH

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
6	ammonium sulfate	[U-99% 15N]	0.1 % w/v
7	Glucose	[U-100% 13C]	0.2 % w/v
8	sodium phosphate	natural abundance	20 mM
9	sodium chloride	natural abundance	50 mM
10	sodium azide	natural abundance	0.1 % w/v
11	DTT	natural abundance	1 mM

8 3D HCCH-TOCSY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
12	ammonium sulfate	[U-99% 15N]	0.1 % w/v
13	Glucose	[U-100% 13C]	0.2 % w/v
14	sodium phosphate	natural abundance	20 mM
15	sodium chloride	natural abundance	50 mM
16	sodium azide	natural abundance	0.1 % w/v
17	DTT	natural abundance	1 mM

9 2D 1H-13C HSQC aliphatic

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
6	ammonium sulfate	[U-99% 15N]	0.1 % w/v
7	Glucose	[U-100% 13C]	0.2 % w/v
8	sodium phosphate	natural abundance	20 mM
9	sodium chloride	natural abundance	50 mM
10	sodium azide	natural abundance	0.1 % w/v
11	DTT	natural abundance	1 mM

10 2D 1H-13C HSQC aromatic

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
12	ammonium sulfate	[U-99% 15N]	0.1 % w/v
13	Glucose	[U-100% 13C]	0.2 % w/v
14	sodium phosphate	natural abundance	20 mM
15	sodium chloride	natural abundance	50 mM
16	sodium azide	natural abundance	0.1 % w/v
17	DTT	natural abundance	1 mM

11 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
12	ammonium sulfate	[U-99% 15N]	0.1 % w/v
13	Glucose	[U-100% 13C]	0.2 % w/v
14	sodium phosphate	natural abundance	20 mM
15	sodium chloride	natural abundance	50 mM
16	sodium azide	natural abundance	0.1 % w/v
17	DTT	natural abundance	1 mM

12 3D 1H-13C NOESY aromatic

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
12	ammonium sulfate	[U-99% 15N]	0.1 % w/v
13	Glucose	[U-100% 13C]	0.2 % w/v
14	sodium phosphate	natural abundance	20 mM
15	sodium chloride	natural abundance	50 mM
16	sodium azide	natural abundance	0.1 % w/v
17	DTT	natural abundance	1 mM

13 3D 1H-15N NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	ammonium sulfate	[U-99% 15N]	0.1 % w/v
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM
4	DTT	natural abundance	1 mM
5	sodium azide	natural abundance	0.1 % w/v

14 CBHD

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
12	ammonium sulfate	[U-99% 15N]	0.1 % w/v
13	Glucose	[U-100% 13C]	0.2 % w/v
14	sodium phosphate	natural abundance	20 mM
15	sodium chloride	natural abundance	50 mM
16	sodium azide	natural abundance	0.1 % w/v
17	DTT	natural abundance	1 mM

15 CBHE

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
12	ammonium sulfate	[U-99% 15N]	0.1 % w/v
13	Glucose	[U-100% 13C]	0.2 % w/v
14	sodium phosphate	natural abundance	20 mM
15	sodium chloride	natural abundance	50 mM
16	sodium azide	natural abundance	0.1 % w/v
17	DTT	natural abundance	1 mM

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_25240_2mv2.nef
Input source #2: Coordindates	2mv2.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
MASGVTVSDVCKTTYEEIKKDKKHRYVIFYIRDEKQIDVETVADRNAEYDQFLEDIQKCGPGECRYGLFDFEYMHQCQGTSESSKKQKLFLMSWCPDTAK
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MASGVTVSDVCKTTYEEIKKDKKHRYVIFYIRDEKQIDVETVADRNAEYDQFLEDIQKCGPGECRYGLFDFEYMHQCQGTSESSKKQKLFLMSWCPDTAK

-------110-------120-------130-------140--------
VKKKMLYSSSFDALKKSLVGVQKYIQATDLSEASREAVEEKLRATDRQ
||||||||||||||||||||||||||||||||||||||||||||||||
VKKKMLYSSSFDALKKSLVGVQKYIQATDLSEASREAVEEKLRATDRQ

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	148	0	0	100.0

Content subtype: combined_25240_2mv2.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1672		100.0 (chain: A, length: 148)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	OK	3154 (1)	noe	100.0 (chain: A, length: 148)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	246 (246)	.	98.0 (chain: A, length: 148)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 148, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 874
  - ¹³C chemical shifts: 652
  - ¹⁵N chemical shifts: 146
- Completeness of assignments
  - Entity_assemble_ID: A
- 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: A

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	929	873	94.0
¹³C chemical shifts	684	652	95.3
¹⁵N chemical shifts	164	146	89.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	300	299	99.7
¹³C chemical shifts	296	293	99.0
¹⁵N chemical shifts	146	146	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	629	574	91.3
¹³C chemical shifts	388	359	92.5
¹⁵N chemical shifts	18	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	71	67	94.4
¹³C chemical shifts	71	67	94.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	72	54	75.0
¹³C chemical shifts	71	52	73.2
¹⁵N chemical shifts	1	0	0.0

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 148, Sequence coverage: 100.0%
- Total number of restraints: 3140
- Weight of restraints: 1.0 (3140)
- Potential type of restraints: square-well-parabolic (3140)
- Range of distance target values: 2.0, 3.25 (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

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_3
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 148, Sequence coverage: 98.0%
- Total number of restraints: 246
- Total number of restraints per polymer type: 246
- Weight of restraints: 1.0 (246)
- Potential type of restraints: square-well-parabolic (246)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords ADF-h fold

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Found 1 Document (2.113 seconds)

BMRB: 25240

Sample #1

Sample #2

Sample #3

Related entities 1. Twinstar from Drosophila melanogastor, : 1 : 3 : 201 entities Detail

Interaction partners 1. Twinstar from Drosophila melanogastor, : 45 interactors Detail

Experiments performed 15 experiments Detail

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NMR combined restraints 4 contents Detail