BMRB Entry 6033

Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR6033

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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:

NMR characterisation shows that a b-type variant of Hydrogenobacter thermophilus cytochrome c552 retains its native fold

Deposition date:

2003-12-05

Original release date:

2004-02-12

Authors:

Wain, Rachel; Redfield, Christina; Smith, Lorna

Citation:

Citation: Wain, Rachel; Redfield, Christina; Smith, Lorna. "NMR analysis shows that a b-type variant of hydrogenobacter thermophilus cytochrome c552 retains its native structure " J. Biol. Chem. ., .-..
PubMed: 14726539

Assembly members:

Assembly members:
Cytochrome c552 from Hydrogenobacter thermophilus, polymer, 80 residues, Formula weight is not available
HEM, non-polymer, 616.487 Da.

Natural source:

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

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Cytochrome c552 from Hydrogenobacter thermophilus: NEQLAKQKGAMAAHDLKAKK VGPAYADVAKKYAGRKDAVD YLAGKIKKGGSGVWGSVPMP PQNVTDAEAKQLAQWILSIK

Data sets:

assigned_chemical_shifts
- shift_set_1

Data type	Count
1H chemical shifts	283
15N chemical shifts	76

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	C10A/C13A cytochrome c552	1
2	PROTOPORPHYRIN IX CONTAINING FE	2

Entities:

Entity 1, C10A/C13A cytochrome c552 80 residues - Formula weight is not available

1	ASN	GLU	GLN	LEU	ALA	LYS	GLN	LYS	GLY	ALA
2	MET	ALA	ALA	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, PROTOPORPHYRIN IX CONTAINING FE - C34 H32 Fe N4 O4 - 616.487 Da.

1

HEM

Samples:

sample_1: Cytochrome c552 from Hydrogenobacter thermophilus, [U-15N], 1.0 mM

conditions_sample_1: pH: 7.4 na; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
1H-15N NOESY	sample_1	not available	conditions_sample_1
1H-15N TOCSY	sample_1	not available	conditions_sample_1
1H-15N HSQC	sample_1	not available	conditions_sample_1
1H-15N HMQCJ	sample_1	not available	conditions_sample_1

Software:

No software information available

NMR spectrometers:

Homemade . 750 MHz

BMRB	10134 10135 17053 5086 5087 5088 5089
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	ALA
2	MET	ALA	ALA	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	ALA
2	MET	ALA	ALA	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