BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	78.2 % (773 of 988)	77.6 % (408 of 526)	76.5 % (287 of 375)	89.7 % (78 of 87)
Backbone	87.3 % (419 of 480)	87.7 % (142 of 162)	86.7 % (208 of 240)	88.5 % (69 of 78)
Sidechain	72.0 % (422 of 586)	73.1 % (266 of 364)	69.0 % (147 of 213)	100.0 % (9 of 9)
Aromatic	48.2 % (53 of 110)	58.2 % (32 of 55)	34.6 % (18 of 52)	100.0 % (3 of 3)
Methyl	100.0 % (40 of 40)	100.0 % (20 of 20)	100.0 % (20 of 20)

1. entity 1

GSMAAPSMKE RQVCWGARDE YWKCLDENLE DASQCKKLRS SFESSCPQQW IKYFDKRRDY LKFKEKFEAG QFEPSETTAK S

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4 (±0.1), Details 0.5 mM [U-15N] Coa6, 50 mM TRIS, 150 mM sodium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	Coa6	[U-15N]	0.5 (±0.05) mM
2	TRIS	natural abundance	50 (±1.0) mM
3	sodium chloride	natural abundance	150 (±1.0) mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4 (±0.1), Details 0.5 mM [U-13C; U-15N] Coa6, 50 mM TRIS, 150 mM sodium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
4	Coa6	[U-13C; U-15N]	0.5 (±0.05) mM
5	TRIS	natural abundance	50 (±1.0) mM
6	sodium chloride	natural abundance	150 (±1.0) mM

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4 (±0.1), Details 0.5 mM Coa6, 50 mM TRIS, 150 mM sodium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
7	Coa6	natural abundance	0.5 (±0.05) mM
8	TRIS	natural abundance	50 (±1.0) mM
9	sodium chloride	natural abundance	150 (±1.0) mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: -0.1 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: -0.1 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: 0.03 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: -0.27 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 6NL3, Strand ID: A Detail

Release date

2019-01-09

Citation

COA6 Is Structurally Tuned to Function as a Thiol-Disulfide Oxidoreductase in Copper Delivery to Mitochondrial Cytochrome c Oxidase
Soma, S., Morgada, M.N., Naik, M.T., Boulet, A., Roesler, A.A., Dziuba, N., Ghosh, A., Yu, Q., Lindahl, P.A., Ames, J.B., Leary, S.C., Vila, A.J., Gohil, V.M.
Cell Rep. (2019), 29, 4114-4126, PubMed 31851937 , DOI 10.1016/j.celrep.2019.11.054 , Abstract

Related entities 1. Cytochrome c oxidase assembly factor 6 homolog, : 1 : 3 : 7 entities Detail

Interaction partners 1. Cytochrome c oxidase assembly factor 6 homolog, : 3 interactors Detail

More details for 3 interactors identified by 3 citations

Experiments performed 17 experiments Detail

1 2D COSY

Instrument

Bruker AvanceIII - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4 (±0.1), Details 0.5 mM Coa6, 50 mM TRIS, 150 mM sodium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
7	Coa6	natural abundance	0.5 (±0.05) mM
8	TRIS	natural abundance	50 (±1.0) mM
9	sodium chloride	natural abundance	150 (±1.0) mM

2 2D TOCSY

Instrument

Bruker AvanceIII - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4 (±0.1), Details 0.5 mM Coa6, 50 mM TRIS, 150 mM sodium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
7	Coa6	natural abundance	0.5 (±0.05) mM
8	TRIS	natural abundance	50 (±1.0) mM
9	sodium chloride	natural abundance	150 (±1.0) mM

3 2D 1H-13C HSQC

Instrument

Bruker AvanceIII - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4 (±0.1), Details 0.5 mM [U-13C; U-15N] Coa6, 50 mM TRIS, 150 mM sodium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
4	Coa6	[U-13C; U-15N]	0.5 (±0.05) mM
5	TRIS	natural abundance	50 (±1.0) mM
6	sodium chloride	natural abundance	150 (±1.0) mM

4 2D 1H-13C HSQC aromatic

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
4	Coa6	[U-13C; U-15N]	0.5 (±0.05) mM
5	TRIS	natural abundance	50 (±1.0) mM
6	sodium chloride	natural abundance	150 (±1.0) mM

5 2D 1H-15N HSQC

Instrument

Bruker AvanceIII - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4 (±0.1), Details 0.5 mM [U-15N] Coa6, 50 mM TRIS, 150 mM sodium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	Coa6	[U-15N]	0.5 (±0.05) mM
2	TRIS	natural abundance	50 (±1.0) mM
3	sodium chloride	natural abundance	150 (±1.0) mM

6 3D HCCH-COSY

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
4	Coa6	[U-13C; U-15N]	0.5 (±0.05) mM
5	TRIS	natural abundance	50 (±1.0) mM
6	sodium chloride	natural abundance	150 (±1.0) mM

7 3D 1H-15N TOCSY

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Coa6	[U-15N]	0.5 (±0.05) mM
2	TRIS	natural abundance	50 (±1.0) mM
3	sodium chloride	natural abundance	150 (±1.0) mM

8 3D HBHA(CO)NH

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
4	Coa6	[U-13C; U-15N]	0.5 (±0.05) mM
5	TRIS	natural abundance	50 (±1.0) mM
6	sodium chloride	natural abundance	150 (±1.0) mM

9 3D H(CCO)NH

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
4	Coa6	[U-13C; U-15N]	0.5 (±0.05) mM
5	TRIS	natural abundance	50 (±1.0) mM
6	sodium chloride	natural abundance	150 (±1.0) mM

10 3D CBCA(CO)NH

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
4	Coa6	[U-13C; U-15N]	0.5 (±0.05) mM
5	TRIS	natural abundance	50 (±1.0) mM
6	sodium chloride	natural abundance	150 (±1.0) mM

11 3D HNCA

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
4	Coa6	[U-13C; U-15N]	0.5 (±0.05) mM
5	TRIS	natural abundance	50 (±1.0) mM
6	sodium chloride	natural abundance	150 (±1.0) mM

12 3D HNCACO

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
4	Coa6	[U-13C; U-15N]	0.5 (±0.05) mM
5	TRIS	natural abundance	50 (±1.0) mM
6	sodium chloride	natural abundance	150 (±1.0) mM

13 3D HNCO

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
4	Coa6	[U-13C; U-15N]	0.5 (±0.05) mM
5	TRIS	natural abundance	50 (±1.0) mM
6	sodium chloride	natural abundance	150 (±1.0) mM

14 3D 1H-13C NOESY

Instrument

Bruker AvanceIII - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
4	Coa6	[U-13C; U-15N]	0.5 (±0.05) mM
5	TRIS	natural abundance	50 (±1.0) mM
6	sodium chloride	natural abundance	150 (±1.0) mM

15 3D 1H-15N NOESY

Instrument

Bruker AvanceIII - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
4	Coa6	[U-13C; U-15N]	0.5 (±0.05) mM
5	TRIS	natural abundance	50 (±1.0) mM
6	sodium chloride	natural abundance	150 (±1.0) mM

16 2D NOESY

Instrument

Bruker AvanceIII - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4 (±0.1), Details 0.5 mM Coa6, 50 mM TRIS, 150 mM sodium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
7	Coa6	natural abundance	0.5 (±0.05) mM
8	TRIS	natural abundance	50 (±1.0) mM
9	sodium chloride	natural abundance	150 (±1.0) mM

17 2D-hbCBcgcdHD

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
4	Coa6	[U-13C; U-15N]	0.5 (±0.05) mM
5	TRIS	natural abundance	50 (±1.0) mM
6	sodium chloride	natural abundance	150 (±1.0) mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr30556_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	True (see coordinates for details)
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:14:CYS:SG	1:46:CYS:SG	oxidized, CA 58.693, CB 37.566 ppm	oxidized, CA 52.169, CB 45.634 ppm	n/a
1:24:CYS:SG	1:35:CYS:SG	oxidized 23.0%, reduced 77.0%, CA 57.839, CB 32.45 ppm	oxidized 5.7%, reduced 94.3%, CA 59.538, CB 32.006 ppm	n/a

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr30556_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	794		93.8 (chain: 1, length: 81)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 81, Sequence coverage: 93.8%
- Total number of assignments
  - ¹H chemical shifts: 441
  - ¹³C chemical shifts: 275
  - ¹⁵N chemical shifts: 78
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	526	397	75.5
¹³C chemical shifts	375	275	73.3
¹⁵N chemical shifts	92	78	84.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	162	138	85.2
¹³C chemical shifts	162	136	84.0
¹⁵N chemical shifts	78	68	87.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	364	259	71.2
¹³C chemical shifts	213	139	65.3
¹⁵N chemical shifts	14	10	71.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	22	22	100.0
¹³C chemical shifts	22	22	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	55	30	54.5
¹³C chemical shifts	52	16	30.8
¹⁵N chemical shifts	3	3	100.0

Keywords OXIDOREDUCTASE, mitochondrial proteins

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Found 1 Document (0.877 seconds)

BMRB: 30556

Sample #1

Sample #2

Sample #3

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Cytochrome c oxidase assembly factor 6 homolog, : 1 : 3 : 7 entities Detail

Interaction partners 1. Cytochrome c oxidase assembly factor 6 homolog, : 3 interactors Detail

Experiments performed 17 experiments Detail

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Chemical shift validation 3 contents Detail