BMRB Entry 5086

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PDB ID: 1ayg
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR5086
MolProbity Validation Chart

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Reduced recombinant Hydrogenobacter thermophilus cytochrome c-552 expressed in E. coli periplasm

Deposition date:

2001-07-23

Original release date:

2002-08-22

Authors:

Karan, Elizabeth; Russell, Brandy; Bren, Kara

Citation:

Citation: Karan, Elizabeth; Russell, Brandy; Bren, Kara. "Characterization of Hydrogenobacter thermophilus Cytochromes c(552) Expressed in the Cytoplasm and Periplasm of Escherichia coli" J. Biol. Inorg. Chem. 7, 260-272 (2002).
PubMed: 11935350

Assembly members:

Assembly members:
cytochrome c-552, polymer, 80 residues, 9187 Da.
HEC, non-polymer, 618.503 Da.

Natural source:

Natural source: Common Name: Hydrogenobacter thermophilus Taxonomy ID: 940 Superkingdom: Bacteria Kingdom: not available Genus/species: Hydrogenobacter thermophilus

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
cytochrome c-552: NEQLAKQKGCMACHDLKAKK VGPAYADVAKKYAGRKDAVD YLAGKIKKGGSGVWGSVPMP PQNVTDAEAKQLAQWILSIK

Data sets:

assigned_chemical_shifts
- chemical_shift_1
- chemical_shift_2

Data type	Count
1H chemical shifts	524

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Ht p-cyt c-552	1
2	heme	2

Entities:

Entity 1, Ht p-cyt c-552 80 residues - 9187 Da.

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

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

1

HEC

Samples:

sample_1: cytochrome c-5522 – 3.5 mM; heme c2 – 3.5 mM; sodium acetate, [U-2H], 120 mM; sodium dithionite mM

condition_1: pH: 5; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
1H TOCSY	sample_1	not available	condition_1
1H NOESY	sample_1	not available	condition_1

Software:

FELIX v97 -

NMR spectrometers:

Varian INOVA 500 MHz

BMRB	10134 10135 17053 5087 5088 5089 6033
PDB	1AYG 1YNR 2AI5 3VYM
DBJ	BAI69446
EMBL	CAA40902
GB	ADO45379
REF	WP_012963626 YP_003432647 YP_005511672
SP	P15452
AlphaFold	P15452

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

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