BMRBj - BMREntryMaster

Found 1 Document (0.268 seconds)

BMRB: 970

351C

15N NMR Spectroscopy of Pseudomonas Cytochrome c-551

Authors

Timkovich, R.

Assembly

cytochrome c551

Entity

1. cytochrome c551 (polymer), 82 monomers, 8694.811 Da Detail

EDPEVLFKNK GCVACHAIDT KMVGPAYKDV AAKFAGQAGA EAELAQRIKN GSQGVWGPIP MPPNAVSDDE AQTLAKWVLS QK

2. HEME C (non-polymer), 618.503 Da

Total weight

9313.313 Da

Max. entity weight

8694.811 Da

Entity Connection

covalent 2 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	covalent	sing	1:CYS12:SG	2:HEC1:na
2	covalent	sing	1:CYS15:SG	2:HEC1:na

Source organism

Pseudomonas aeruginosa

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 87.8 %, Completeness: 29.5 %, Completeness (bb): 60.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹⁵N
All	29.5 % (166 of 563)	18.9 % (90 of 477)	88.4 % (76 of 86)
Backbone	60.2 % (145 of 241)	44.8 % (74 of 165)	93.4 % (71 of 76)
Sidechain	6.5 % (21 of 322)	5.1 % (16 of 312)	50.0 % (5 of 10)
Aromatic	13.3 % (4 of 30)	7.1 % (2 of 28)	100.0 % (2 of 2)
Methyl	9.3 % (4 of 43)	9.3 % (4 of 43)

1. cytochrome c551

EDPEVLFKNK GCVACHAIDT KMVGPAYKDV AAKFAGQAGA EAELAQRIKN GSQGVWGPIP MPPNAVSDDE AQTLAKWVLS QK

Show sample condition

Sample

Temperature 323 K, pH 4.6

#	Name	Isotope labeling	Type	Concentration
1	na

Release date

2015-08-05

Citation

15N NMR spectroscopy of Pseudomonas cytochrome c-551
Timkovich, R.
Biochemistry (1990), 29, 7773-7780, PubMed 2176826 , DOI: , Abstract

Related entities 1. cytochrome c551, : 1 : 4 : 1 : 49 entities Detail

Experiments performed 1 experiments Detail

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr970_3.str
Diamagnetism of the molecular assembly	False (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: bmr970_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	chemical_shift_assignment_data_set_one	Warning	158		87.8 (chain: 1, length: 82)

Assigned chemical shifts

Saveframe: chemical_shift_assignment_data_set_one
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 82, Sequence coverage: 87.8%
- Total number of assignments
  - ¹H chemical shifts: 81
  - ¹⁵N chemical shifts: 77
- Completeness of assignments
  - Entity_assemble_ID: 1
- Tautomeric state of HIS
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
16	HIS	ND1	168.2
16	HIS	HD1	8.64

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	312	8	2.6
¹⁵N chemical shifts	11	5	45.5

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Found 1 Document (0.268 seconds)

BMRB: 970

Sample

Related entities 1. cytochrome c551, : 1 : 4 : 1 : 49 entities Detail

Experiments performed 1 experiments Detail

Instrument

Sample

Chemical shift validation 4 contents Detail