BMRB Entry 4777

Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR4777

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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Complete 1H, 15N and 13C Assignment of the Functional Domain of Paracoccus denitrificans Cytochrome c552 in the Oxidized state

Deposition date:

2000-07-05

Original release date:

2001-07-25

Authors:

Luecke, Christian; Reincke, Britta; Loehr, Frank; Pristovsek, Primoz; Ludwig, Bernd; Rueterjans, Heinz

Citation:

Citation: Luecke, Christian; Reincke, Britta; Loehr, Frank; Pristovsek, Primoz; Ludwig, Bernd; Rueterjans, Heinz. "Complete 1H, 15N and 13C Assignment of the Functional Domain of Paracoccus denitrificans Cytochrome c552 in the Oxidized state" J. Biomol. NMR 18, 365-366 (2000).

Assembly members:

Assembly members:
Paracoccus denitrificans cytochrome c552, soluble fragment, polymer, 100 residues, 10528 Da.
HEC, non-polymer, 618.503 Da.

Natural source:

Natural source: Common Name: not available Taxonomy ID: 266 Superkingdom: Eubacteria Kingdom: Proteobacteria Genus/species: Paracoccus denitrificans

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET-22b(+)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Paracoccus denitrificans cytochrome c552, soluble fragment: MADPAAGEKVFGKCKACHKL DGNDGVGPHLNGVVGRTVAG VDGFNYSDPMKAHGGDWTPE ALQEFLTNPKAVVKGTKMAF AGLPKIEDRANLIAYLEGQQ

Data sets:

assigned_chemical_shifts
- shift_set_1
- shift_set_2

Data type	Count
1H chemical shifts	704
13C chemical shifts	422
15N chemical shifts	107

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	cyt c552	1
2	HEC_ox	2

Entities:

Entity 1, cyt c552 100 residues - 10528 Da.

1	MET	ALA	ASP	PRO	ALA	ALA	GLY	GLU	LYS	VAL
2	PHE	GLY	LYS	CYS	LYS	ALA	CYS	HIS	LYS	LEU
3	ASP	GLY	ASN	ASP	GLY	VAL	GLY	PRO	HIS	LEU
4	ASN	GLY	VAL	VAL	GLY	ARG	THR	VAL	ALA	GLY
5	VAL	ASP	GLY	PHE	ASN	TYR	SER	ASP	PRO	MET
6	LYS	ALA	HIS	GLY	GLY	ASP	TRP	THR	PRO	GLU
7	ALA	LEU	GLN	GLU	PHE	LEU	THR	ASN	PRO	LYS
8	ALA	VAL	VAL	LYS	GLY	THR	LYS	MET	ALA	PHE
9	ALA	GLY	LEU	PRO	LYS	ILE	GLU	ASP	ARG	ALA
10	ASN	LEU	ILE	ALA	TYR	LEU	GLU	GLY	GLN	GLN

Entity 2, HEC_ox - C34 H34 Fe N4 O4 - 618.503 Da.

1

HEC

BMRB	4471 5079 5080
PDB	1C7M 1I6D 1I6E 1QL3 1QL4 3M97
EMBL	CAA49830
GB	ABL69905
REF	WP_011748102 YP_915601
SP	P54820
AlphaFold	P54820

BMRB Entry 4777

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

Related Database Links:

1	MET	ALA	ASP	PRO	ALA	ALA	GLY	GLU	LYS	VAL
2	PHE	GLY	LYS	CYS	LYS	ALA	CYS	HIS	LYS	LEU
3	ASP	GLY	ASN	ASP	GLY	VAL	GLY	PRO	HIS	LEU
4	ASN	GLY	VAL	VAL	GLY	ARG	THR	VAL	ALA	GLY
5	VAL	ASP	GLY	PHE	ASN	TYR	SER	ASP	PRO	MET
6	LYS	ALA	HIS	GLY	GLY	ASP	TRP	THR	PRO	GLU
7	ALA	LEU	GLN	GLU	PHE	LEU	THR	ASN	PRO	LYS
8	ALA	VAL	VAL	LYS	GLY	THR	LYS	MET	ALA	PHE
9	ALA	GLY	LEU	PRO	LYS	ILE	GLU	ASP	ARG	ALA
10	ASN	LEU	ILE	ALA	TYR	LEU	GLU	GLY	GLN	GLN

Name	Sample	Sample state	Sample conditions
1H-1H TOCSY	not available	not available	cond_set_1
1H-1H NOESY	not available	not available	cond_set_1
1H-15N HSQC	not available	not available	cond_set_1
1H-15N HTQC	not available	not available	cond_set_1
1H-15N TOCSY-HSQC	not available	not available	cond_set_1
1H-15N NOESY-HSQC	not available	not available	cond_set_1
HNCACB	not available	not available	cond_set_1
CC(CO)NH-TOCSY	not available	not available	cond_set_1
(HCA)CO(CA)NH	not available	not available	cond_set_1
HCCH-TOCSY	not available	not available	cond_set_1
1H-13C HSQC	not available	not available	cond_set_1
1H-13C NOESY-HSQC	not available	not available	cond_set_1
1D NOE difference spectra	not available	not available	cond_set_1

1	MET	ALA	ASP	PRO	ALA	ALA	GLY	GLU	LYS	VAL
2	PHE	GLY	LYS	CYS	LYS	ALA	CYS	HIS	LYS	LEU
3	ASP	GLY	ASN	ASP	GLY	VAL	GLY	PRO	HIS	LEU
4	ASN	GLY	VAL	VAL	GLY	ARG	THR	VAL	ALA	GLY
5	VAL	ASP	GLY	PHE	ASN	TYR	SER	ASP	PRO	MET
6	LYS	ALA	HIS	GLY	GLY	ASP	TRP	THR	PRO	GLU
7	ALA	LEU	GLN	GLU	PHE	LEU	THR	ASN	PRO	LYS
8	ALA	VAL	VAL	LYS	GLY	THR	LYS	MET	ALA	PHE
9	ALA	GLY	LEU	PRO	LYS	ILE	GLU	ASP	ARG	ALA
10	ASN	LEU	ILE	ALA	TYR	LEU	GLU	GLY	GLN	GLN

1	MET	ALA	ASP	PRO	ALA	ALA	GLY	GLU	LYS	VAL
2	PHE	GLY	LYS	CYS	LYS	ALA	CYS	HIS	LYS	LEU
3	ASP	GLY	ASN	ASP	GLY	VAL	GLY	PRO	HIS	LEU
4	ASN	GLY	VAL	VAL	GLY	ARG	THR	VAL	ALA	GLY
5	VAL	ASP	GLY	PHE	ASN	TYR	SER	ASP	PRO	MET
6	LYS	ALA	HIS	GLY	GLY	ASP	TRP	THR	PRO	GLU
7	ALA	LEU	GLN	GLU	PHE	LEU	THR	ASN	PRO	LYS
8	ALA	VAL	VAL	LYS	GLY	THR	LYS	MET	ALA	PHE
9	ALA	GLY	LEU	PRO	LYS	ILE	GLU	ASP	ARG	ALA
10	ASN	LEU	ILE	ALA	TYR	LEU	GLU	GLY	GLN	GLN