BMRB Entry 15643

Name: Backbone chemical shift assignments for ketopantoate reductase (KPR) from E. coli
Published: 2008-06-05

Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR15643

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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:

Backbone chemical shift assignments for ketopantoate reductase (KPR) from E. coli

Deposition date:

2008-01-28

Original release date:

2008-06-05

Authors:

Headey, Stephen; Vom, Amelia; Simpson, Jamie; Scanlon, Martin

Citation:

Citation: Headey, Stephen; Vom, Amelia; Simpson, Jamie; Scanlon, Martin. "Backbone assignments of the 34 kDa ketopantoate reductase from E. coli" Biomol. NMR Assignments 2, 93-96 (2008).
PubMed: 19636932

Assembly members:

Assembly members:
KPR, polymer, 320 residues, Formula weight is not available

Natural source:

Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Eubacteria Kingdom: not available Genus/species: Escherichia coli

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pRSETA

Entity Sequences (FASTA):

Entity Sequences (FASTA):
KPR: MRGSHHHHHHGLVPRGSMKI TVLGCGALGQLWLTALCKQG HEVQGWLRVPQPYCSVNLVE TDGSIFNESLTANDPDFLAT SDLLLVTLKAWQVSDAVKSL ASTLPVTTPILLIHNGMGTI EELQNIQQPLLMGTTTHAAR RDGNVIIHVANGITHIGPAR QQDGDYSYLADILQTVLPDV AWHNNIRAELWRKLAVNCVI NPLTAIWNCPNGELRHHPQE IMQICEEVAAVIEREGHHTS AEDLRDYVMQVIDATAENIS SMLQDIRALRHTEIDYINGF LLRRARAHGIAVPENTRLFE MVKRKESEYERIGTGLPRPW

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	787
15N chemical shifts	267
1H chemical shifts	267

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	KPR	1

Entities:

Entity 1, KPR 320 residues - Formula weight is not available

negative numbers denote vector encoded leader sequence including His-tag

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

Samples:

sample_1: KPR, [U-100% 13C; U-100% 15N; 80% 2H], 0.6 ± 0.06 mM; HEPES 100 ± 5 mM; sodium chloride 150 ± 5 mM; DTT 1 ± 0.1 mM; EDTA 1 ± 0.1 mM

sample_conditions_1: ionic strength: 0.15 M; pH: 7.6; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D HN(CO)CACB	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO	sample_1	isotropic	sample_conditions_1
2D 1H-15N TROSY	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN v1.3, Bruker Biospin - collection, processing

NMR spectrometers:

Varian INOVA 600 MHz
Bruker AMX 800 MHz

PDB	1KS9 1YJQ 1YON 2OFP
DBJ	BAB33902 BAE76205 BAG75971 BAI23796 BAI29267
EMBL	CAP74959 CAQ30894 CAQ90095 CAQ97297 CAR01768
GB	AAB40181 AAC73528 AAG54775 AAN42020 AAN79014
REF	NP_308506 NP_414959 NP_706313 WP_000705824 WP_000705825
SP	P0A9J4 P0A9J5 Q8XE72
AlphaFold	P0A9J4 P0A9J5 Q8XE72

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

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