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BMRB: 26031

2NCL

Solution structure of BOLA3 from Homo sapiens

Authors

Ciofi-Baffoni, S., Nasta, V., Banci, L.

Assembly

BOLA3 from Homo sapiens

Entity

1. BOLA3 from Homo sapiens (polymer, Thiol state: all free), 81 monomers, 9290.631 Da Detail

ATQTEGELRV TQILKEKFPR ATAIKVTDIS GGCGAMYEIK IESEEFKEKR TVQQHQMVNQ ALKEEIKEMH GLRIFTSVPK R

Formula weight

9290.631 Da

Source organism

Exptl. method

Refine. method

restrained molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 96.3 %, Completeness (bb): 98.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	96.3 % (942 of 978)	97.7 % (505 of 517)	93.9 % (352 of 375)	98.8 % (85 of 86)
Backbone	98.8 % (476 of 482)	97.0 % (160 of 165)	100.0 % (238 of 238)	98.7 % (78 of 79)
Sidechain	94.8 % (542 of 572)	98.0 % (345 of 352)	89.2 % (190 of 213)	100.0 % (7 of 7)
Aromatic	47.8 % (22 of 46)	95.7 % (22 of 23)	0.0 % (0 of 23)
Methyl	100.0 % (88 of 88)	100.0 % (44 of 44)	100.0 % (44 of 44)

1. BOLA3

ATQTEGELRV TQILKEKFPR ATAIKVTDIS GGCGAMYEIK IESEEFKEKR TVQQHQMVNQ ALKEEIKEMH GLRIFTSVPK R

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	BOLA3	[U-100% 15N]		0.75 mM
2	potassium phosphate	natural abundance		50 mM
3	DTT	natural abundance		5 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
4	BOLA3	[U-100% 13C; U-100% 15N]		0.75 mM
5	potassium phosphate	natural abundance		50 mM
6	DTT	natural abundance		5 mM

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
7	BOLA3	natural abundance		1 mM
8	potassium phosphate	natural abundance		50 mM
9	DTT	natural abundance		5 mM

LACS Plot; CA

Referencing offset: 0.45 ppm, Outliers: 4 Detail

LACS Plot; CB

Referencing offset: 0.45 ppm, Outliers: 4 Detail

LACS Plot; HA

Referencing offset: 0.02 ppm, Outliers: 2 Detail

LACS Plot; CO

Referencing offset: 0.37 ppm, Outliers: 2 Detail

Protein Blocks Logo

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

Release date

2016-09-01

Citation

Mitochondrial Bol1 and Bol3 function as assembly factors for specific iron-sulfur proteins
Uzarska, M.A., Nasta, V., Weiler, B.D., Spantgar, F., Ciofi-Baffoni, S., Saviello, M.R., Gonnelli, L., Muhlenhoff, U., Banci, L., Lill, R.
Elife (2016), 5, e16673-e16673, PubMed 27532772 , DOI 10.7554/eLife.16673 , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 34013 released on 2016-08-25
Title Solution structure of BOLA1 from Homo sapiens

Related entities 1. BOLA3 from Homo sapiens, : 1 : 2 : 29 entities Detail

Interaction partners 1. BOLA3 from Homo sapiens, : 2 interactors Detail

More details for 2 interactors identified by 1 citations

Experiments performed 14 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	BOLA3	[U-100% 15N]		0.75 mM
2	potassium phosphate	natural abundance		50 mM
3	DTT	natural abundance		5 mM

2 2D 1H-13C HSQC

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
4	BOLA3	[U-100% 13C; U-100% 15N]		0.75 mM
5	potassium phosphate	natural abundance		50 mM
6	DTT	natural abundance		5 mM

3 2D 1H-1H TOCSY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
7	BOLA3	natural abundance		1 mM
8	potassium phosphate	natural abundance		50 mM
9	DTT	natural abundance		5 mM

4 2D 1H-1H NOESY

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
7	BOLA3	natural abundance		1 mM
8	potassium phosphate	natural abundance		50 mM
9	DTT	natural abundance		5 mM

5 3D CBCA(CO)NH

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
4	BOLA3	[U-100% 13C; U-100% 15N]		0.75 mM
5	potassium phosphate	natural abundance		50 mM
6	DTT	natural abundance		5 mM

6 3D HNCO

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
4	BOLA3	[U-100% 13C; U-100% 15N]		0.75 mM
5	potassium phosphate	natural abundance		50 mM
6	DTT	natural abundance		5 mM

7 3D HNCA

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
4	BOLA3	[U-100% 13C; U-100% 15N]		0.75 mM
5	potassium phosphate	natural abundance		50 mM
6	DTT	natural abundance		5 mM

8 3D HNCACB

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
4	BOLA3	[U-100% 13C; U-100% 15N]		0.75 mM
5	potassium phosphate	natural abundance		50 mM
6	DTT	natural abundance		5 mM

9 3D HBHA(CO)NH

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
4	BOLA3	[U-100% 13C; U-100% 15N]		0.75 mM
5	potassium phosphate	natural abundance		50 mM
6	DTT	natural abundance		5 mM

10 3D HN(CO)CA

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
4	BOLA3	[U-100% 13C; U-100% 15N]		0.75 mM
5	potassium phosphate	natural abundance		50 mM
6	DTT	natural abundance		5 mM

11 3D HCCH-TOCSY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
4	BOLA3	[U-100% 13C; U-100% 15N]		0.75 mM
5	potassium phosphate	natural abundance		50 mM
6	DTT	natural abundance		5 mM

12 3D HN(CA)CO

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
4	BOLA3	[U-100% 13C; U-100% 15N]		0.75 mM
5	potassium phosphate	natural abundance		50 mM
6	DTT	natural abundance		5 mM

13 3D 1H-15N NOESY

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	BOLA3	[U-100% 15N]		0.75 mM
2	potassium phosphate	natural abundance		50 mM
3	DTT	natural abundance		5 mM

14 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
4	BOLA3	[U-100% 13C; U-100% 15N]		0.75 mM
5	potassium phosphate	natural abundance		50 mM
6	DTT	natural abundance		5 mM

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_26031_2ncl.nef
Input source #2: Coordindates	2ncl.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

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

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	81	0	0	100.0

Content subtype: combined_26031_2ncl.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	946		100.0 (chain: A, length: 81)
1	Distance restraints	DYANA/DIANA_distance_constraints_2	OK	2115 (1)	noe	98.8 (chain: A, length: 81)
1	Dihedral angle restraints	DYANA/DIANA_dihedral_3	OK	142 (142)	.	98.8 (chain: A, length: 81)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 81, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 508
  - ¹³C chemical shifts: 351
  - ¹⁵N chemical shifts: 87
- 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

Distance restraints

Saveframe: DYANA/DIANA_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 81, Sequence coverage: 98.8%
- Total number of restraints: 2113
- Weight of restraints: 1.0 (2113)
- Potential type of restraints: upper-bound-parabolic (2113)
- Range of distance target values: 2.4, 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

Dihedral angle restraints

Saveframe: DYANA/DIANA_dihedral_3
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 81, Sequence coverage: 98.8%
- Total number of restraints: 142
- Total number of restraints per polymer type: 142
- Weight of restraints: 1.0 (142)
- Potential type of restraints: square-well-parabolic (142)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords class II KH-like fold, mitochondrial protein