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BMRB: 18171

2LNM

Solution structure of atTic-hip/hop domain (Residue 310-371)

Authors

Chen, C., Kao, Y.

Assembly

atTic-hip/hop domain (Residue 310-371)

Entity

1. atTic-hip/hop domain (Residue 310-371) (polymer, Thiol state: all free), 62 monomers, 7051.097 Da Detail

PEEVISKIME NPDVAMAFQN PRVQAALMEC SENPMNIMKY QNDKEVMDVF NKISQLFPGM TG

Formula weight

7051.097 Da

Source organism

Arabidopsis thaliana

Exptl. method

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 95.1 %, Completeness (bb): 100.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	95.1 % (700 of 736)	95.4 % (371 of 389)	93.6 % (262 of 280)	100.0 % (67 of 67)
Backbone	100.0 % (362 of 362)	100.0 % (121 of 121)	100.0 % (184 of 184)	100.0 % (57 of 57)
Sidechain	91.7 % (398 of 434)	93.3 % (250 of 268)	88.5 % (138 of 156)	100.0 % (10 of 10)
Aromatic	44.7 % (17 of 38)	47.4 % (9 of 19)	42.1 % (8 of 19)
Methyl	100.0 % (54 of 54)	100.0 % (27 of 27)	100.0 % (27 of 27)

1. entity

PEEVISKIME NPDVAMAFQN PRVQAALMEC SENPMNIMKY QNDKEVMDVF NKISQLFPGM TG

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 5.56, Details 10% TFE was added to stable the structure

#	Name	Isotope labeling	Type	Concentration
1	potassium phosphate	natural abundance		20 mM
2	sodium citrate	natural abundance		20 mM
3	sodium chloride	natural abundance		100 mM
4	TFE	[U-99% 2H]		10 %
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

LACS Plot; CA

Referencing offset: -0.15 ppm, Outliers: 1 Detail

LACS Plot; CB

Referencing offset: -0.15 ppm, Outliers: 1 Detail

LACS Plot; HA

Referencing offset: 0.06 ppm, Outliers: 5 Detail

LACS Plot; CO

Referencing offset: 0.15 ppm, Outliers: 2 Detail

Protein Blocks Logo

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

Release date

2012-09-13

Citation

Solution structure of the C-terminal NP-repeat domain of Tic40, a co-chaperone during protein import into chloroplasts
Kao, Y., Lou, Y., Yeh, Y., Hsiao, C., Chen, C.
J. Biochem. (2012), 152, 443-451, PubMed 22888115 , DOI 10.1093/jb/mvs086 , Abstract

Related entities 1. atTic-hip/hop domain (Residue 310-371), : 1 : 2 : 50 entities Detail

Interaction partners 1. atTic-hip/hop domain (Residue 310-371), : 3 interactors Detail

More details for 3 interactors identified by 3 citations

Experiments performed 14 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 5.56, Details 10% TFE was added to stable the structure

#	Name	Isotope labeling	Type	Concentration
1	potassium phosphate	natural abundance		20 mM
2	sodium citrate	natural abundance		20 mM
3	sodium chloride	natural abundance		100 mM
4	TFE	[U-99% 2H]		10 %
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

2 2D 1H-13C HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 5.56, Details 10% TFE was added to stable the structure

#	Name	Isotope labeling	Type	Concentration
1	potassium phosphate	natural abundance		20 mM
2	sodium citrate	natural abundance		20 mM
3	sodium chloride	natural abundance		100 mM
4	TFE	[U-99% 2H]		10 %
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

3 3D CBCA(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 5.56, Details 10% TFE was added to stable the structure

#	Name	Isotope labeling	Type	Concentration
1	potassium phosphate	natural abundance		20 mM
2	sodium citrate	natural abundance		20 mM
3	sodium chloride	natural abundance		100 mM
4	TFE	[U-99% 2H]		10 %
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

4 3D HNCACB

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 5.56, Details 10% TFE was added to stable the structure

#	Name	Isotope labeling	Type	Concentration
1	potassium phosphate	natural abundance		20 mM
2	sodium citrate	natural abundance		20 mM
3	sodium chloride	natural abundance		100 mM
4	TFE	[U-99% 2H]		10 %
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

5 3D HNCO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 5.56, Details 10% TFE was added to stable the structure

#	Name	Isotope labeling	Type	Concentration
1	potassium phosphate	natural abundance		20 mM
2	sodium citrate	natural abundance		20 mM
3	sodium chloride	natural abundance		100 mM
4	TFE	[U-99% 2H]		10 %
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

6 3D HN(CA)CO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 5.56, Details 10% TFE was added to stable the structure

#	Name	Isotope labeling	Type	Concentration
1	potassium phosphate	natural abundance		20 mM
2	sodium citrate	natural abundance		20 mM
3	sodium chloride	natural abundance		100 mM
4	TFE	[U-99% 2H]		10 %
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

7 3D HNCA

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 5.56, Details 10% TFE was added to stable the structure

#	Name	Isotope labeling	Type	Concentration
1	potassium phosphate	natural abundance		20 mM
2	sodium citrate	natural abundance		20 mM
3	sodium chloride	natural abundance		100 mM
4	TFE	[U-99% 2H]		10 %
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

8 3D HN(CO)CA

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 5.56, Details 10% TFE was added to stable the structure

#	Name	Isotope labeling	Type	Concentration
1	potassium phosphate	natural abundance		20 mM
2	sodium citrate	natural abundance		20 mM
3	sodium chloride	natural abundance		100 mM
4	TFE	[U-99% 2H]		10 %
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

9 3D HCCH-TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 5.56, Details 10% TFE was added to stable the structure

#	Name	Isotope labeling	Type	Concentration
1	potassium phosphate	natural abundance		20 mM
2	sodium citrate	natural abundance		20 mM
3	sodium chloride	natural abundance		100 mM
4	TFE	[U-99% 2H]		10 %
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

10 3D CCCONH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 5.56, Details 10% TFE was added to stable the structure

#	Name	Isotope labeling	Type	Concentration
1	potassium phosphate	natural abundance		20 mM
2	sodium citrate	natural abundance		20 mM
3	sodium chloride	natural abundance		100 mM
4	TFE	[U-99% 2H]		10 %
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

11 3D 1H-15N NOESY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 5.56, Details 10% TFE was added to stable the structure

#	Name	Isotope labeling	Type	Concentration
1	potassium phosphate	natural abundance		20 mM
2	sodium citrate	natural abundance		20 mM
3	sodium chloride	natural abundance		100 mM
4	TFE	[U-99% 2H]		10 %
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

12 3D 1H-15N TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 5.56, Details 10% TFE was added to stable the structure

#	Name	Isotope labeling	Type	Concentration
1	potassium phosphate	natural abundance		20 mM
2	sodium citrate	natural abundance		20 mM
3	sodium chloride	natural abundance		100 mM
4	TFE	[U-99% 2H]		10 %
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

13 3D 1H-13C NOESY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 5.56, Details 10% TFE was added to stable the structure

#	Name	Isotope labeling	Type	Concentration
1	potassium phosphate	natural abundance		20 mM
2	sodium citrate	natural abundance		20 mM
3	sodium chloride	natural abundance		100 mM
4	TFE	[U-99% 2H]		10 %
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

14 2D 1H-1H NOESY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 5.56, Details 10% TFE was added to stable the structure

#	Name	Isotope labeling	Type	Concentration
1	potassium phosphate	natural abundance		20 mM
2	sodium citrate	natural abundance		20 mM
3	sodium chloride	natural abundance		100 mM
4	TFE	[U-99% 2H]		10 %
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

NMR combined restraints 3 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints	combined_18171_2lnm.nef
Input source #2: Coordindates	2lnm.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--
PEEVISKIMENPDVAMAFQNPRVQAALMECSENPMNIMKYQNDKEVMDVFNKISQLFPGMTG
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PEEVISKIMENPDVAMAFQNPRVQAALMECSENPMNIMKYQNDKEVMDVFNKISQLFPGMTG

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	62	0	0	100.0

Content subtype: combined_18171_2lnm.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	700		100.0 (chain: A, length: 62)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	OK	1284 (1)	noe	100.0 (chain: A, length: 62)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 62, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 371
  - ¹³C chemical shifts: 262
  - ¹⁵N chemical shifts: 67
- 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

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 62, Sequence coverage: 100.0%
- Total number of restraints: 1283
- Weight of restraints: 1.0 (1283)
- Potential type of restraints: square-well-parabolic (1283)
- Range of distance target values: 2.05, 5.5 (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

Keywords protein