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BMRB: 15073

3I8R

NMR assignments of CO-bound ferrous Corynebacterium diphtheria Heme Oxygenase

Authors

Hom, K., Deshmukh, R., Furci, L.M., Wilks, A.

Assembly

cdHO

Entity

1. heme oxygenase (polymer, Thiol state: not present), 215 monomers, 24137.87 Da Detail

MTTATAGLAV ELKQSTAQAH EKAEHSTFMS DLLKGRLGVA EFTRLQEQAW LFYTALEQAV DAVRASGFAE SLLDPALNRA EVLARDLDKL NGSSEWRSRI TASPAVIDYV NRLEEIRDNV DGPALVAHHY VRYLGDLSGG QVIARMMQRH YGVDPEALGF YHFEGIAKLK VYKDEYREKL NNLELSDEQR EHLLKEATDA FVFNHQVFAD LGKGL

2. HEM (non-polymer), 616.487 Da

Total weight

24754.355 Da

Max. entity weight

24137.87 Da

Source organism

Corynebacterium diphtheriae

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 88.8 %, Completeness: 36.3 %, Completeness (bb): 65.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	36.3 % (900 of 2478)	19.0 % (243 of 1278)	49.9 % (485 of 971)	75.1 % (172 of 229)
Backbone	65.1 % (834 of 1282)	43.2 % (190 of 440)	75.0 % (473 of 631)	81.0 % (171 of 211)
Sidechain	13.9 % (194 of 1397)	6.3 % (53 of 838)	25.9 % (140 of 541)	5.6 % (1 of 18)
Aromatic	0.0 % (0 of 210)	0.0 % (0 of 105)	0.0 % (0 of 103)	0.0 % (0 of 2)
Methyl	18.2 % (47 of 258)	13.2 % (17 of 129)	23.3 % (30 of 129)

1. heme oxygenase

MTTATAGLAV ELKQSTAQAH EKAEHSTFMS DLLKGRLGVA EFTRLQEQAW LFYTALEQAV DAVRASGFAE SLLDPALNRA EVLARDLDKL NGSSEWRSRI TASPAVIDYV NRLEEIRDNV DGPALVAHHY VRYLGDLSGG QVIARMMQRH YGVDPEALGF YHFEGIAKLK VYKDEYREKL NNLELSDEQR EHLLKEATDA FVFNHQVFAD LGKGL

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	heme oxygenase	[U-13C; U-15N]		1.0 ~ 2.0 mM
2	PROTOPORPHYRIN IX CONTAINING FE	natural abundance		1.0 ~ 2.0 mM
3	H2O	natural abundance		95 %
4	D2O	[U-2H]		5 %
5	potassium chloride	natural abundance		100 mM
6	potassium phosphate	natural abundance		50 mM
7	DSS	natural abundance		0.5 mM
8	CO	natural abundance		1.0 ~ 2.0 mM
9	sodium dithionite	natural abundance		2.0 ~ 5.0 mM

LACS Plot; CA

Referencing offset: 2.27 ppm, Outliers: 2 Detail

LACS Plot; CB

Referencing offset: 2.27 ppm, Outliers: 2 Detail

LACS Plot; CO

Referencing offset: 0.24 ppm, Outliers: 1 Detail

Release date

2007-06-25

Citation

NMR assignments of cd-HO, a 24 kDa heme oxygenase from Corynebacterium diphtheria
Hom, K., Deshmukh, R., Furci, L.M., Wilks, A.
Biomol. NMR Assign. (2007), 1, 55-56, PubMed 19636825 , DOI 10.1007/s12104-007-9014-3 , Abstract

Related entities 1. heme oxygenase, : 1 : 12 : 2 : 1 : 99 entities Detail

Experiments performed 8 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	heme oxygenase	[U-13C; U-15N]		1.0 ~ 2.0 mM
2	PROTOPORPHYRIN IX CONTAINING FE	natural abundance		1.0 ~ 2.0 mM
3	H2O	natural abundance		95 %
4	D2O	[U-2H]		5 %
5	potassium chloride	natural abundance		100 mM
6	potassium phosphate	natural abundance		50 mM
7	DSS	natural abundance		0.5 mM
8	CO	natural abundance		1.0 ~ 2.0 mM
9	sodium dithionite	natural abundance		2.0 ~ 5.0 mM

2 3D CBCA(CO)NH

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	heme oxygenase	[U-13C; U-15N]		1.0 ~ 2.0 mM
2	PROTOPORPHYRIN IX CONTAINING FE	natural abundance		1.0 ~ 2.0 mM
3	H2O	natural abundance		95 %
4	D2O	[U-2H]		5 %
5	potassium chloride	natural abundance		100 mM
6	potassium phosphate	natural abundance		50 mM
7	DSS	natural abundance		0.5 mM
8	CO	natural abundance		1.0 ~ 2.0 mM
9	sodium dithionite	natural abundance		2.0 ~ 5.0 mM

3 3D HNCA

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	heme oxygenase	[U-13C; U-15N]		1.0 ~ 2.0 mM
2	PROTOPORPHYRIN IX CONTAINING FE	natural abundance		1.0 ~ 2.0 mM
3	H2O	natural abundance		95 %
4	D2O	[U-2H]		5 %
5	potassium chloride	natural abundance		100 mM
6	potassium phosphate	natural abundance		50 mM
7	DSS	natural abundance		0.5 mM
8	CO	natural abundance		1.0 ~ 2.0 mM
9	sodium dithionite	natural abundance		2.0 ~ 5.0 mM

4 3D HNCO

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	heme oxygenase	[U-13C; U-15N]		1.0 ~ 2.0 mM
2	PROTOPORPHYRIN IX CONTAINING FE	natural abundance		1.0 ~ 2.0 mM
3	H2O	natural abundance		95 %
4	D2O	[U-2H]		5 %
5	potassium chloride	natural abundance		100 mM
6	potassium phosphate	natural abundance		50 mM
7	DSS	natural abundance		0.5 mM
8	CO	natural abundance		1.0 ~ 2.0 mM
9	sodium dithionite	natural abundance		2.0 ~ 5.0 mM

5 3D HNCACB

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	heme oxygenase	[U-13C; U-15N]		1.0 ~ 2.0 mM
2	PROTOPORPHYRIN IX CONTAINING FE	natural abundance		1.0 ~ 2.0 mM
3	H2O	natural abundance		95 %
4	D2O	[U-2H]		5 %
5	potassium chloride	natural abundance		100 mM
6	potassium phosphate	natural abundance		50 mM
7	DSS	natural abundance		0.5 mM
8	CO	natural abundance		1.0 ~ 2.0 mM
9	sodium dithionite	natural abundance		2.0 ~ 5.0 mM

6 3D HN(CO)CA

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	heme oxygenase	[U-13C; U-15N]		1.0 ~ 2.0 mM
2	PROTOPORPHYRIN IX CONTAINING FE	natural abundance		1.0 ~ 2.0 mM
3	H2O	natural abundance		95 %
4	D2O	[U-2H]		5 %
5	potassium chloride	natural abundance		100 mM
6	potassium phosphate	natural abundance		50 mM
7	DSS	natural abundance		0.5 mM
8	CO	natural abundance		1.0 ~ 2.0 mM
9	sodium dithionite	natural abundance		2.0 ~ 5.0 mM

7 3D 1H-15N NOESY

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	heme oxygenase	[U-13C; U-15N]		1.0 ~ 2.0 mM
2	PROTOPORPHYRIN IX CONTAINING FE	natural abundance		1.0 ~ 2.0 mM
3	H2O	natural abundance		95 %
4	D2O	[U-2H]		5 %
5	potassium chloride	natural abundance		100 mM
6	potassium phosphate	natural abundance		50 mM
7	DSS	natural abundance		0.5 mM
8	CO	natural abundance		1.0 ~ 2.0 mM
9	sodium dithionite	natural abundance		2.0 ~ 5.0 mM

8 3D HN(CA)CO

Instrument

Varian INOVA - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	heme oxygenase	[U-13C; U-15N]		1.0 ~ 2.0 mM
2	PROTOPORPHYRIN IX CONTAINING FE	natural abundance		1.0 ~ 2.0 mM
3	H2O	natural abundance		95 %
4	D2O	[U-2H]		5 %
5	potassium chloride	natural abundance		100 mM
6	potassium phosphate	natural abundance		50 mM
7	DSS	natural abundance		0.5 mM
8	CO	natural abundance		1.0 ~ 2.0 mM
9	sodium dithionite	natural abundance		2.0 ~ 5.0 mM

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr15073_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: bmr15073_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	798		86.5 (chain: 1, length: 215)
1	Chemical shift references	chemical_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 215, Sequence coverage: 86.5%
- Total number of assignments
  - ¹³C chemical shifts: 472
  - ¹H chemical shifts: 163
  - ¹⁵N chemical shifts: 163
- Completeness of assignments
  - Entity_assemble_ID: 1
- Peptide bond of PRO
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Keywords Corynebacterium diptheriae, heme oxygenase, NMR