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Found 1 Document (0.485 seconds)

BMRB: 10134

1AYG

1H and 15N assignment of oxidized Hydrogenobacter thermophilus cytochrome c552

Authors

Takayama, S.J., Takahashi, Y., Mikami, S., Irie, K., Kawano, S., Yamamoto, Y., Hemmi, H., Kitahara, R., Yokoyama, S., Akasaka, K.

Assembly

cytochrome c552

Entity

1. cytochrome c552 (polymer, Thiol state: all other bound), 80 monomers, 8570.894 Da Detail

NEQLAKQKGC MACHDLKAKK VGPAYADVAK KYAGRKDAVD YLAGKIKKGG SGVWGSVPMP PQNVTDAEAK QLAQWILSIK

2. HEC (non-polymer), 618.503 Da

Total weight

9189.396 Da

Max. entity weight

8570.894 Da

Entity Connection

thioether 2, metal coordination 2 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	thioether	sing	1:CYS10:SG	2:HEC1:CAB
2	thioether	sing	1:CYS13:SG	2:HEC1:CAC
3	metal coordination	sing	1:HIS14:NE	2:HEC1:FE
4	metal coordination	sing	1:MET59:SD	2:HEC1:FE

Source organism

Hydrogenobacter thermophilus

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 92.5 %, Completeness: 26.5 %, Completeness (bb): 62.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹⁵N
All	26.5 % (151 of 570)	16.1 % (78 of 485)	85.9 % (73 of 85)
Backbone	62.5 % (150 of 240)	47.0 % (77 of 164)	96.1 % (73 of 76)
Sidechain	0.6 % (2 of 330)	0.6 % (2 of 321)	0.0 % (0 of 9)
Aromatic	0.0 % (0 of 28)	0.0 % (0 of 26)	0.0 % (0 of 2)
Methyl	0.0 % (0 of 41)	0.0 % (0 of 41)

1. cytochrome c552

NEQLAKQKGC MACHDLKAKK VGPAYADVAK KYAGRKDAVD YLAGKIKKGG SGVWGSVPMP PQNVTDAEAK QLAQWILSIK

Show sample condition

Sample

Temperature 296 (±2) K, pH 6.0 (±0.2)

#	Name	Isotope labeling	Concentration
1	cytochrome c552	[U-15N]	1 mM
2	potassium phosphate		20 mM
3	potassium ferricyanide		10 mM

Release date

2008-02-10

Citation

Local conformational transition of Hydrogenobacter thermophilus cytochrome c552 relevant to its redox potential
Takayama, S.J., Takahashi, Y., Mikami, S., Irie, K., Kawano, S., Yamamoto, Y., Hemmi, H., Kitahara, R., Yokoyama, S., Akasaka, K.
Biochemistry (2007), 46, 9215-9224, PubMed 17658890 , DOI 10.1021/bi7000714 , Abstract

Entries sharing articles BMRB: 3 entries Detail

  BMRB: 10132 released on 2008-02-10
    Title 1H and 15N assignment of oxidized Pseudomonas aeruginosa cytochrome c551
  BMRB: 10133 released on 2008-02-10
    Title 1H and 15N assignment of reduced Pseudomonas aeruginosa cytochrome c551
  BMRB: 10135 released on 2008-02-10
    Title 1H and 15N assignment of reduced Hydrogenobacter thermophilus cytochrome c552

Related entities 1. cytochrome c552, : 1 : 5 : 45 entities Detail

Experiments performed 1 experiments Detail

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr10134_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	Error

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)
1:10:CYS:SG	2:1:HEC:CAB	unknown	unknown	n/a
1:13:CYS:SG	2:1:HEC:CAC	unknown	unknown	n/a
1:14:HIS:NE	2:1:HEC:FE	unknown	unknown	n/a
1:59:MET:SD	2:1:HEC:FE	unknown	unknown	n/a

Non-standard residues

None

Content subtype: bmr10134_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	shift_1	Warning	146		91.2 (chain: 1, length: 80)
1	Chemical shift references	Ref_1	OK	2		No information

Assigned chemical shifts

Saveframe: shift_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 80, Sequence coverage: 91.2%
- Total number of assignments
  - ¹H chemical shifts: 73
  - ¹⁵N chemical shifts: 73
- 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

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	485	73	15.1
¹⁵N chemical shifts	86	73	84.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	164	73	44.5
¹⁵N chemical shifts	76	73	96.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	321	0	0.0
¹⁵N chemical shifts	10	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	43	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	26	0	0.0
¹⁵N chemical shifts	2	0	0.0

Keywords Cytochrome c, High-pressure NMR, Hydrogen bond, Paramagnetic NMR, Redox potential

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Found 1 Document (0.485 seconds)

BMRB: 10134

Sample

Entries sharing articles BMRB: 3 entries Detail

Related entities 1. cytochrome c552, : 1 : 5 : 45 entities Detail

Experiments performed 1 experiments Detail

Instrument

Sample

Chemical shift validation 4 contents Detail