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BMRB: 4806

1HKO

1H, 13C and 15N chemical shifts of bovine ferric cytochrome b5

Authors

Hom, K., Ma, Q., Wolfe, G., Zhang, H., Storch, E.M., Daggett, V., Basus, V.J., Waskell, L.

Assembly

bovine ferric cytochrome b5

Entity

1. ferric cytochrome b5 (polymer, Thiol state: not present), 82 monomers, 9461.265 Da Detail

AVKYYTLEEI QKHNNSKSTW LILHYKVYDL TKFLEEHPGG EEVLREQAGG DATENFEDVG HSTDARELSK TFIIGELHPD DR

2. HEM (non-polymer), 616.487 Da

Total weight

10077.752 Da

Max. entity weight

9461.265 Da

Source organism

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.6 %, Completeness: 31.3 %, Completeness (bb): 50.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	31.3 % (301 of 961)	25.7 % (128 of 498)	25.7 % (97 of 377)	88.4 % (76 of 86)
Backbone	50.8 % (248 of 488)	51.8 % (87 of 168)	35.4 % (85 of 240)	95.0 % (76 of 80)
Sidechain	11.3 % (62 of 549)	12.4 % (41 of 330)	9.9 % (21 of 213)	0.0 % (0 of 6)
Aromatic	5.3 % (5 of 94)	4.3 % (2 of 47)	6.5 % (3 of 46)	0.0 % (0 of 1)
Methyl	15.5 % (13 of 84)	21.4 % (9 of 42)	9.5 % (4 of 42)

1. ferric cytochrome b5

AVKYYTLEEI QKHNNSKSTW LILHYKVYDL TKFLEEHPGG EEVLREQAGG DATENFEDVG HSTDARELSK TFIIGELHPD DR

Show sample condition

Sample

Temperature 298 (±1) K

#	Name	Isotope labeling	Type	Concentration
1	ferric cytochrome b5	[U-90% 13C; U-90% 15N]		0.3 mM
2	PROTOPORPHYRIN IX CONTAINING FE			0.3 mM

Release date

2000-11-14

Citation 1

NMR studies of the association of cytochrome b5 with cytochrome c
Hom, K., Ma, Q., Wolfe, G., Zhang, H., Storch, E.M., Daggett, V., Basus, V.J., Waskell, L.
Biochemistry (2000), 39, 14025-14039, PubMed 11087350 , Abstract

Show more 1 citaion

Citation 2

NMRPipe: a multidimensional spectral processing system based on UNIX pipes
Delaglio, F., Grzesiek, S., Vuister, G.W., Zhu, G., Pfeifer, J., Bax, A.
J. Biomol. NMR (1995), 6, 277-293, PubMed 8520220 , Abstract

Hide non-primary 1 citaion

Related entities 1. ferric cytochrome b5, : 1 : 4 : 13 : 12 : 232 entities Detail

Interaction partners 1. ferric cytochrome b5, : 4 interactors Detail

More details for 4 interactors identified by 4 citations

Experiments performed 14 experiments Detail

1 1H-15N HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Temperature 298 (±1) K

#	Name	Isotope labeling	Type	Concentration
1	ferric cytochrome b5	[U-90% 13C; U-90% 15N]		0.3 mM
2	PROTOPORPHYRIN IX CONTAINING FE			0.3 mM

2 13C-1H HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Temperature 298 (±1) K

#	Name	Isotope labeling	Type	Concentration
1	ferric cytochrome b5	[U-90% 13C; U-90% 15N]		0.3 mM
2	PROTOPORPHYRIN IX CONTAINING FE			0.3 mM

3 (HB)CB(CGCD)HD

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Temperature 298 (±1) K

#	Name	Isotope labeling	Type	Concentration
1	ferric cytochrome b5	[U-90% 13C; U-90% 15N]		0.3 mM
2	PROTOPORPHYRIN IX CONTAINING FE			0.3 mM

4 (HB)CB(CGCDCE)HE

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Temperature 298 (±1) K

#	Name	Isotope labeling	Type	Concentration
1	ferric cytochrome b5	[U-90% 13C; U-90% 15N]		0.3 mM
2	PROTOPORPHYRIN IX CONTAINING FE			0.3 mM

5 1H-TOCSY-relayed ct-[13C, 1H]-HMQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Temperature 298 (±1) K

#	Name	Isotope labeling	Type	Concentration
1	ferric cytochrome b5	[U-90% 13C; U-90% 15N]		0.3 mM
2	PROTOPORPHYRIN IX CONTAINING FE			0.3 mM

6 HNCO

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Temperature 298 (±1) K

#	Name	Isotope labeling	Type	Concentration
1	ferric cytochrome b5	[U-90% 13C; U-90% 15N]		0.3 mM
2	PROTOPORPHYRIN IX CONTAINING FE			0.3 mM

7 HNCA

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Temperature 298 (±1) K

#	Name	Isotope labeling	Type	Concentration
1	ferric cytochrome b5	[U-90% 13C; U-90% 15N]		0.3 mM
2	PROTOPORPHYRIN IX CONTAINING FE			0.3 mM

8 HNCACB

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Temperature 298 (±1) K

#	Name	Isotope labeling	Type	Concentration
1	ferric cytochrome b5	[U-90% 13C; U-90% 15N]		0.3 mM
2	PROTOPORPHYRIN IX CONTAINING FE			0.3 mM

9 CBCA(CO)NNH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Temperature 298 (±1) K

#	Name	Isotope labeling	Type	Concentration
1	ferric cytochrome b5	[U-90% 13C; U-90% 15N]		0.3 mM
2	PROTOPORPHYRIN IX CONTAINING FE			0.3 mM

10 HBHA(CO)NNH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Temperature 298 (±1) K

#	Name	Isotope labeling	Type	Concentration
1	ferric cytochrome b5	[U-90% 13C; U-90% 15N]		0.3 mM
2	PROTOPORPHYRIN IX CONTAINING FE			0.3 mM

11 HCCH-TOCSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Temperature 298 (±1) K

#	Name	Isotope labeling	Type	Concentration
1	ferric cytochrome b5	[U-90% 13C; U-90% 15N]		0.3 mM
2	PROTOPORPHYRIN IX CONTAINING FE			0.3 mM

12 ct-HCACO

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Temperature 298 (±1) K

#	Name	Isotope labeling	Type	Concentration
1	ferric cytochrome b5	[U-90% 13C; U-90% 15N]		0.3 mM
2	PROTOPORPHYRIN IX CONTAINING FE			0.3 mM

13 13C-edited NOESY-HMQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Temperature 298 (±1) K

#	Name	Isotope labeling	Type	Concentration
1	ferric cytochrome b5	[U-90% 13C; U-90% 15N]		0.3 mM
2	PROTOPORPHYRIN IX CONTAINING FE			0.3 mM

14 15N-edited NOESY-HMQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Temperature 298 (±1) K

#	Name	Isotope labeling	Type	Concentration
1	ferric cytochrome b5	[U-90% 13C; U-90% 15N]		0.3 mM
2	PROTOPORPHYRIN IX CONTAINING FE			0.3 mM

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr4806_3.str
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

Content subtype: bmr4806_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	shift_set_1	Warning	298		97.6 (chain: 1, length: 82)
1	Chemical shift references	chemical_shift_reference	OK	3		No information

Assigned chemical shifts

Saveframe: shift_set_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 82, Sequence coverage: 97.6%
- Total number of assignments
  - ¹H chemical shifts: 132
  - ¹³C chemical shifts: 90
  - ¹⁵N chemical shifts: 76
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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

Keywords bovine cytochrome b5, heteronuclear NMR