BMRB Entry 19005

Name: 1H, 13C, and 15N backbone chemical shift assignments of the low-spin CN-bound yeast cytochrome c peroxidase with the N-terminal His-tag
Published: 2013-04-02

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR19005

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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:

1H, 13C, and 15N backbone chemical shift assignments of the low-spin CN-bound yeast cytochrome c peroxidase with the N-terminal His-tag

Deposition date:

2013-02-05

Original release date:

2013-04-02

Authors:

Volkov, Alexander; van Nuland, Nico

Citation:

Citation: Volkov, Alexander; Wohlkonig, Alexandre; Soror, Sameh; van Nuland, Nico. "Expression, Purification, Characterization, and Solution Nuclear Magnetic Resonance Study of Highly Deuterated Yeast Cytochrome c Peroxidase with Enhanced Solubility" Biochemistry 52, 2165-2175 (2013).
PubMed: 23517193

Assembly members:

Assembly members:
cytochrome_c_peroxidase, polymer, 300 residues, Formula weight is not available
PROTOPORPHYRIN IX CONTAINING FE, non-polymer, 616.487 Da.
CYANIDE ION, non-polymer, 26.017 Da.

Natural source:

Natural source: Common Name: baker's yeast Taxonomy ID: 4932 Superkingdom: Eukaryota Kingdom: Fungi Genus/species: Saccharomyces cerevisiae

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET24a(+)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
cytochrome_c_peroxidase: MHHHHHHKTLVHVASVEKGR SYEDFQKVYNAIALKLREDD EYDNYIGYGPVLVRLAWHTS GTWDKHDNTGGSYGGTYRFK KEFNDPSNAGLQNGFKFLEP IHKEFPWISSGDLFSLGGVT AVQEMQGPKIPWRCGRVDTP EDTTPDNGRLPDADKDADYV RTFFQRLNMNDREVVALMGA HALGKTHLKNSGYEGPWGAA NNVFTNEFYLNLLNEDWKLE KNDANNEQWDSKSGYMMLPT DYSLIQDPKYLSIVKEYAND QDKFFKDFSKAFEKLLENGI TFPKDAPSPFIFKTLEEQGL

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	261
13C chemical shifts	789
15N chemical shifts	261

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	protein	1
2	cofactor_HEM	2
3	cofactor_CYN	3

Entities:

Entity 1, protein 300 residues - Formula weight is not available

N-terminal His tag

1	MET	HIS	HIS	HIS	HIS	HIS	HIS	LYS	THR	LEU
2	VAL	HIS	VAL	ALA	SER	VAL	GLU	LYS	GLY	ARG
3	SER	TYR	GLU	ASP	PHE	GLN	LYS	VAL	TYR	ASN
4	ALA	ILE	ALA	LEU	LYS	LEU	ARG	GLU	ASP	ASP
5	GLU	TYR	ASP	ASN	TYR	ILE	GLY	TYR	GLY	PRO
6	VAL	LEU	VAL	ARG	LEU	ALA	TRP	HIS	THR	SER
7	GLY	THR	TRP	ASP	LYS	HIS	ASP	ASN	THR	GLY
8	GLY	SER	TYR	GLY	GLY	THR	TYR	ARG	PHE	LYS
9	LYS	GLU	PHE	ASN	ASP	PRO	SER	ASN	ALA	GLY
10	LEU	GLN	ASN	GLY	PHE	LYS	PHE	LEU	GLU	PRO
11	ILE	HIS	LYS	GLU	PHE	PRO	TRP	ILE	SER	SER
12	GLY	ASP	LEU	PHE	SER	LEU	GLY	GLY	VAL	THR
13	ALA	VAL	GLN	GLU	MET	GLN	GLY	PRO	LYS	ILE
14	PRO	TRP	ARG	CYS	GLY	ARG	VAL	ASP	THR	PRO
15	GLU	ASP	THR	THR	PRO	ASP	ASN	GLY	ARG	LEU
16	PRO	ASP	ALA	ASP	LYS	ASP	ALA	ASP	TYR	VAL
17	ARG	THR	PHE	PHE	GLN	ARG	LEU	ASN	MET	ASN
18	ASP	ARG	GLU	VAL	VAL	ALA	LEU	MET	GLY	ALA
19	HIS	ALA	LEU	GLY	LYS	THR	HIS	LEU	LYS	ASN
20	SER	GLY	TYR	GLU	GLY	PRO	TRP	GLY	ALA	ALA
21	ASN	ASN	VAL	PHE	THR	ASN	GLU	PHE	TYR	LEU
22	ASN	LEU	LEU	ASN	GLU	ASP	TRP	LYS	LEU	GLU
23	LYS	ASN	ASP	ALA	ASN	ASN	GLU	GLN	TRP	ASP
24	SER	LYS	SER	GLY	TYR	MET	MET	LEU	PRO	THR
25	ASP	TYR	SER	LEU	ILE	GLN	ASP	PRO	LYS	TYR
26	LEU	SER	ILE	VAL	LYS	GLU	TYR	ALA	ASN	ASP
27	GLN	ASP	LYS	PHE	PHE	LYS	ASP	PHE	SER	LYS
28	ALA	PHE	GLU	LYS	LEU	LEU	GLU	ASN	GLY	ILE
29	THR	PHE	PRO	LYS	ASP	ALA	PRO	SER	PRO	PHE
30	ILE	PHE	LYS	THR	LEU	GLU	GLU	GLN	GLY	LEU

Entity 2, cofactor_HEM - C34 H32 Fe N4 O4 - 616.487 Da.

1

HEM

Entity 3, cofactor_CYN - C N - 26.017 Da.

1

CYN

Samples:

sample_1: cytochrome c peroxidase, [U-13C; U-15N; U-2H], 1.25 – 1.5 mM; sodium phosphate 20 mM; sodium chloride 100 mM; H2O 95%; D2O 5%

sample_conditions_1: ionic strength: 115 mM; pH: 6; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HN(CA)CB	sample_1	isotropic	sample_conditions_1

Software:

VNMRJ, Varian - collection

CCPN, CCPN - chemical shift assignment, data analysis, peak picking

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMR spectrometers:

Varian Uniform NMR System 800 MHz

Related Database Links:

BMRB	1839 19004 19075 19076 19884 25551
PDB	1A2F 1A2G 1AA4 1AC4 1AC8 1AEB 1AED 1AEE 1AEF 1AEG 1AEH 1AEJ 1AEK 1AEM 1AEN 1AEO 1AEQ 1AES 1AET 1AEU 1AEV 1BEJ 1BEK 1BEM 1BEP 1BEQ 1BES 1BJ9 1BVA 1CCA 1CCB 1CCC 1CCE 1CCG 1CCI 1CCJ 1CCK 1CCL 1CCP 1CMP 1CMQ 1CMT 1CMU 1CPD 1CPE 1CPF 1CPG 1CYF 1DCC 1DJ1 1DJ5 1DS4 1DSE 1DSG 1DSO 1DSP 1EBE 1JCI 1JDR 1KOK 1KRJ 1KXM 1KXN 1MK8 1MKQ 1MKR 1ML2 1RYC 1S6V 1S73 1SBM 1SDQ 1SOG 1STQ 1U74 1U75 1Z53 1ZBY 1ZBZ 2ANZ 2AQD 2AS1 2AS2 2AS3 2AS4 2AS6 2B0Z 2B10 2B11 2B12 2BCN 2CCP 2CEP 2CYP 2EUN 2EUO 2EUP 2EUQ 2EUR 2EUS 2EUT 2EUU 2GB8 2IA8 2ICV 2JTI 2N18 2PCB 2PCC 2RBT 2RBU 2RBV 2RBW 2RBX 2RBY 2RBZ 2RC0 2RC1 2RC2 2V23 2V2E 2X07 2X08 2XIL 2XJ5 2XJ8 2Y5A 2YCG 3CCP 3CCX 3E2O 3EXB 3M23 3M25 3M26 3M27 3M28 3M29 3M2A 3M2B 3M2C 3M2D 3M2E 3M2F 3M2G 3M2H 3M2I 3R98 3R99 4A6Z 4A71 4A78 4A7M 4CCP 4CCX 4CVI 4CVJ 4JB4 4JM5 4JM6 4JM8 4JM9 4JMA 4JMB 4JMS 4JMT 4JMV 4JMW 4JMZ 4JN0 4JPL 4JPT 4JPU 4JQJ 4JQK 4JQM 4JQN 4NFG 4NVA 4NVB 4NVC 4NVD 4NVE 4NVF 4NVG 4NVH 4NVI 4NVJ 4NVK 4NVL 4NVM 4NVN 4NVO 4OQ7 4P4Q 4XV4 4XV5 4XV6 4XV7 4XV8 4XVA 5CCP 6CCP 7CCP
DBJ	GAA24787
EMBL	CAA44288 CAA82145 CAY81144
GB	AAA88709 AAS56247 AHY76301 AJP40095 AJS30293
REF	NP_012992
SP	P00431
TPG	DAA09217
AlphaFold	P00431

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks

1	MET	HIS	HIS	HIS	HIS	HIS	HIS	LYS	THR	LEU
2	VAL	HIS	VAL	ALA	SER	VAL	GLU	LYS	GLY	ARG
3	SER	TYR	GLU	ASP	PHE	GLN	LYS	VAL	TYR	ASN
4	ALA	ILE	ALA	LEU	LYS	LEU	ARG	GLU	ASP	ASP
5	GLU	TYR	ASP	ASN	TYR	ILE	GLY	TYR	GLY	PRO
6	VAL	LEU	VAL	ARG	LEU	ALA	TRP	HIS	THR	SER
7	GLY	THR	TRP	ASP	LYS	HIS	ASP	ASN	THR	GLY
8	GLY	SER	TYR	GLY	GLY	THR	TYR	ARG	PHE	LYS
9	LYS	GLU	PHE	ASN	ASP	PRO	SER	ASN	ALA	GLY
10	LEU	GLN	ASN	GLY	PHE	LYS	PHE	LEU	GLU	PRO
11	ILE	HIS	LYS	GLU	PHE	PRO	TRP	ILE	SER	SER
12	GLY	ASP	LEU	PHE	SER	LEU	GLY	GLY	VAL	THR
13	ALA	VAL	GLN	GLU	MET	GLN	GLY	PRO	LYS	ILE
14	PRO	TRP	ARG	CYS	GLY	ARG	VAL	ASP	THR	PRO
15	GLU	ASP	THR	THR	PRO	ASP	ASN	GLY	ARG	LEU
16	PRO	ASP	ALA	ASP	LYS	ASP	ALA	ASP	TYR	VAL
17	ARG	THR	PHE	PHE	GLN	ARG	LEU	ASN	MET	ASN
18	ASP	ARG	GLU	VAL	VAL	ALA	LEU	MET	GLY	ALA
19	HIS	ALA	LEU	GLY	LYS	THR	HIS	LEU	LYS	ASN
20	SER	GLY	TYR	GLU	GLY	PRO	TRP	GLY	ALA	ALA
21	ASN	ASN	VAL	PHE	THR	ASN	GLU	PHE	TYR	LEU
22	ASN	LEU	LEU	ASN	GLU	ASP	TRP	LYS	LEU	GLU
23	LYS	ASN	ASP	ALA	ASN	ASN	GLU	GLN	TRP	ASP
24	SER	LYS	SER	GLY	TYR	MET	MET	LEU	PRO	THR
25	ASP	TYR	SER	LEU	ILE	GLN	ASP	PRO	LYS	TYR
26	LEU	SER	ILE	VAL	LYS	GLU	TYR	ALA	ASN	ASP
27	GLN	ASP	LYS	PHE	PHE	LYS	ASP	PHE	SER	LYS
28	ALA	PHE	GLU	LYS	LEU	LEU	GLU	ASN	GLY	ILE
29	THR	PHE	PRO	LYS	ASP	ALA	PRO	SER	PRO	PHE
30	ILE	PHE	LYS	THR	LEU	GLU	GLU	GLN	GLY	LEU

1	MET	HIS	HIS	HIS	HIS	HIS	HIS	LYS	THR	LEU
2	VAL	HIS	VAL	ALA	SER	VAL	GLU	LYS	GLY	ARG
3	SER	TYR	GLU	ASP	PHE	GLN	LYS	VAL	TYR	ASN
4	ALA	ILE	ALA	LEU	LYS	LEU	ARG	GLU	ASP	ASP
5	GLU	TYR	ASP	ASN	TYR	ILE	GLY	TYR	GLY	PRO
6	VAL	LEU	VAL	ARG	LEU	ALA	TRP	HIS	THR	SER
7	GLY	THR	TRP	ASP	LYS	HIS	ASP	ASN	THR	GLY
8	GLY	SER	TYR	GLY	GLY	THR	TYR	ARG	PHE	LYS
9	LYS	GLU	PHE	ASN	ASP	PRO	SER	ASN	ALA	GLY
10	LEU	GLN	ASN	GLY	PHE	LYS	PHE	LEU	GLU	PRO
11	ILE	HIS	LYS	GLU	PHE	PRO	TRP	ILE	SER	SER
12	GLY	ASP	LEU	PHE	SER	LEU	GLY	GLY	VAL	THR
13	ALA	VAL	GLN	GLU	MET	GLN	GLY	PRO	LYS	ILE
14	PRO	TRP	ARG	CYS	GLY	ARG	VAL	ASP	THR	PRO
15	GLU	ASP	THR	THR	PRO	ASP	ASN	GLY	ARG	LEU
16	PRO	ASP	ALA	ASP	LYS	ASP	ALA	ASP	TYR	VAL
17	ARG	THR	PHE	PHE	GLN	ARG	LEU	ASN	MET	ASN
18	ASP	ARG	GLU	VAL	VAL	ALA	LEU	MET	GLY	ALA
19	HIS	ALA	LEU	GLY	LYS	THR	HIS	LEU	LYS	ASN
20	SER	GLY	TYR	GLU	GLY	PRO	TRP	GLY	ALA	ALA
21	ASN	ASN	VAL	PHE	THR	ASN	GLU	PHE	TYR	LEU
22	ASN	LEU	LEU	ASN	GLU	ASP	TRP	LYS	LEU	GLU
23	LYS	ASN	ASP	ALA	ASN	ASN	GLU	GLN	TRP	ASP
24	SER	LYS	SER	GLY	TYR	MET	MET	LEU	PRO	THR
25	ASP	TYR	SER	LEU	ILE	GLN	ASP	PRO	LYS	TYR
26	LEU	SER	ILE	VAL	LYS	GLU	TYR	ALA	ASN	ASP
27	GLN	ASP	LYS	PHE	PHE	LYS	ASP	PHE	SER	LYS
28	ALA	PHE	GLU	LYS	LEU	LEU	GLU	ASN	GLY	ILE
29	THR	PHE	PRO	LYS	ASP	ALA	PRO	SER	PRO	PHE
30	ILE	PHE	LYS	THR	LEU	GLU	GLU	GLN	GLY	LEU

1	MET	HIS	HIS	HIS	HIS	HIS	HIS	LYS	THR	LEU
2	VAL	HIS	VAL	ALA	SER	VAL	GLU	LYS	GLY	ARG
3	SER	TYR	GLU	ASP	PHE	GLN	LYS	VAL	TYR	ASN
4	ALA	ILE	ALA	LEU	LYS	LEU	ARG	GLU	ASP	ASP
5	GLU	TYR	ASP	ASN	TYR	ILE	GLY	TYR	GLY	PRO
6	VAL	LEU	VAL	ARG	LEU	ALA	TRP	HIS	THR	SER
7	GLY	THR	TRP	ASP	LYS	HIS	ASP	ASN	THR	GLY
8	GLY	SER	TYR	GLY	GLY	THR	TYR	ARG	PHE	LYS
9	LYS	GLU	PHE	ASN	ASP	PRO	SER	ASN	ALA	GLY
10	LEU	GLN	ASN	GLY	PHE	LYS	PHE	LEU	GLU	PRO
11	ILE	HIS	LYS	GLU	PHE	PRO	TRP	ILE	SER	SER
12	GLY	ASP	LEU	PHE	SER	LEU	GLY	GLY	VAL	THR
13	ALA	VAL	GLN	GLU	MET	GLN	GLY	PRO	LYS	ILE
14	PRO	TRP	ARG	CYS	GLY	ARG	VAL	ASP	THR	PRO
15	GLU	ASP	THR	THR	PRO	ASP	ASN	GLY	ARG	LEU
16	PRO	ASP	ALA	ASP	LYS	ASP	ALA	ASP	TYR	VAL
17	ARG	THR	PHE	PHE	GLN	ARG	LEU	ASN	MET	ASN
18	ASP	ARG	GLU	VAL	VAL	ALA	LEU	MET	GLY	ALA
19	HIS	ALA	LEU	GLY	LYS	THR	HIS	LEU	LYS	ASN
20	SER	GLY	TYR	GLU	GLY	PRO	TRP	GLY	ALA	ALA
21	ASN	ASN	VAL	PHE	THR	ASN	GLU	PHE	TYR	LEU
22	ASN	LEU	LEU	ASN	GLU	ASP	TRP	LYS	LEU	GLU
23	LYS	ASN	ASP	ALA	ASN	ASN	GLU	GLN	TRP	ASP
24	SER	LYS	SER	GLY	TYR	MET	MET	LEU	PRO	THR
25	ASP	TYR	SER	LEU	ILE	GLN	ASP	PRO	LYS	TYR
26	LEU	SER	ILE	VAL	LYS	GLU	TYR	ALA	ASN	ASP
27	GLN	ASP	LYS	PHE	PHE	LYS	ASP	PHE	SER	LYS
28	ALA	PHE	GLU	LYS	LEU	LEU	GLU	ASN	GLY	ILE
29	THR	PHE	PRO	LYS	ASP	ALA	PRO	SER	PRO	PHE
30	ILE	PHE	LYS	THR	LEU	GLU	GLU	GLN	GLY	LEU