BMRBj - BMREntryMaster

Found 1 Document (1.132 seconds)

BMRB: 5088

1AYG

Characterization of Hydrogenobacter thermophilus Cytochromes c(552) Expressed in the Cytoplasm and Periplasm of Escherichia coli

Authors

Karan, E.F., Russell, B.S., Bren, K.L.

Assembly

Hydrogenobacter thermophilus cytochrome c-552

Entity

1. cytochrome c-552 (polymer, Thiol state: all other bound), 81 monomers, 8702.089 Da Detail

MNEQLAKQKG CMACHDLKAK KVGPAYADVA KKYAGRKDAV DYLAGKIKKG GSGVWGSVPM PPQNVTDAEA KQLAQWILSI K

2. HEC (non-polymer), 618.503 Da

Total weight

9320.592 Da

Max. entity weight

8702.089 Da

Entity Connection

thioether 2 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	thioether	sing	1:CYS11:SG	2:HEC1:CAB
2	thioether	sing	1:CYS14:SG	2:HEC1:CAC

Source organism

Hydrogenobacter thermophilus

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 88.9 %, Completeness: 68.5 %, Completeness (bb): 82.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	68.5 % (337 of 492)	68.5 % (337 of 492)
Backbone	82.5 % (137 of 166)	82.5 % (137 of 166)
Sidechain	61.3 % (200 of 326)	61.3 % (200 of 326)
Aromatic	57.7 % (15 of 26)	57.7 % (15 of 26)
Methyl	85.4 % (35 of 41)	85.4 % (35 of 41)

1. cytochrome c-552

MNEQLAKQKG CMACHDLKAK KVGPAYADVA KKYAGRKDAV DYLAGKIKKG GSGVWGSVPM PPQNVTDAEA KQLAQWILSI K

Show sample condition

Sample

Temperature 298 (±0.2) K, pH 5 (±0.5), Details Reduced with at least a 10-fold molar excess of sodium dithionite.

#	Name	Isotope labeling	Concentration
1	cytochrome c-552		2.0 ~ 3.5 mM
2	heme		2.0 ~ 3.5 mM
3	sodium acetate	[U-2H]	120 mM
4	sodium dithionite		35.0 ~ 0.0 mM

Chem. Shift Complete2

Sequence coverage: 4.9 %, Completeness: 36.1 %, Completeness (bb): 43.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	36.1 % (355 of 984)	36.1 % (355 of 984)
Backbone	43.7 % (145 of 332)	43.7 % (145 of 332)
Sidechain	32.2 % (210 of 652)	32.2 % (210 of 652)
Aromatic	28.8 % (15 of 52)	28.8 % (15 of 52)
Methyl	47.6 % (39 of 82)	47.6 % (39 of 82)

1. cytochrome c-552

MNEQLAKQKG CMACHDLKAK KVGPAYADVA KKYAGRKDAV DYLAGKIKKG GSGVWGSVPM PPQNVTDAEA KQLAQWILSI K

Show sample condition

Sample

Temperature 298 (±0.2) K, pH 5 (±0.5), Details Reduced with at least a 10-fold molar excess of sodium dithionite.

#	Name	Isotope labeling	Concentration
1	cytochrome c-552		2.0 ~ 3.5 mM
2	heme		2.0 ~ 3.5 mM
3	sodium acetate	[U-2H]	120 mM
4	sodium dithionite		35.0 ~ 0.0 mM

Release date

2002-08-21

Citation

Characterization of Hydrogenobacter thermophilus cytochromes c(552 )expressed in the cytoplasm and periplasm of Escherichia coli
Karan, E.F., Russell, B.S., Bren, K.L.
J. Biol. Inorg. Chem. (2002), 7, 260-272, PubMed 11935350 , DOI 10.1007/s007750100292 , Abstract

Related entities 1. cytochrome c-552, : 1 : 5 : 42 entities Detail

Experiments performed 2 experiments Detail

Chemical shift validation 5 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr5088_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	True (see coodinates for details)
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)

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:11:CYS:SG	2:1:HEC:CAB	unknown	unknown	n/a
1:14:CYS:SG	2:1:HEC:CAC	unknown	unknown	n/a

Non-standard residues

Chain_ID	Seq_ID	Comp_ID	Chem_comp_name	Experimental evidences
2	1	HEC	HEME C	Assigned chemical shifts

Content subtype: bmr5088_3.str

#	Content subtype	Saveframe	Status	# of rows	Sequence coverage (%)
1	Assigned chemical shifts	chemical_shift_1	Warning	399	87.7 (chain: 1, length: 81)
2	Assigned chemical shifts	chemical_shift_2	OK	7	100.0 (chain: 2, length: 1)
1	Chemical shift references	chemical_shift_reference	OK	1	No information

Assigned chemical shifts

Saveframe: chemical_shift_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 81, Sequence coverage: 87.7%
- Total number of assignments
  - ¹H chemical shifts: 399
- Completeness of assignments
  - Entity_assemble_ID: 1
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1
Saveframe: chemical_shift_2
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: 2, Chain length: 1, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 7
- Completeness of assignments
  - Entity_assemble_ID: 2
- Histogram of normalized assigned chemical shifts

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
15	HIS	HD1	8.95

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	492	330	67.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	166	134	80.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	326	196	60.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	44	34	77.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	26	14	53.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	22	4	18.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	22	4	18.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	6	2	33.3

Keywords cytochrome, thermophilic, Hydrogenobacter thermophilus

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Found 1 Document (1.132 seconds)

BMRB: 5088

Sample

Sample

Related entities 1. cytochrome c-552, : 1 : 5 : 42 entities Detail

Experiments performed 2 experiments Detail

Instrument

Sample

Instrument

Sample

Chemical shift validation 5 contents Detail