BMRB Entry 6234

Name: Chemical shifts of PagP in CYFOS-7 detergent
Published: 2004-07-23

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR6234

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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:

Chemical shifts of PagP in CYFOS-7 detergent

Deposition date:

2004-06-11

Original release date:

2004-07-23

Authors:

Hwang, Peter; Bishop, Russell; Kay, Lewis

Citation:

Citation: Hwang, Peter; Bishop, Russell; Kay, Lewis. "The integral membrane enzyme PagP alternates between two dynamically distinct states." Proc. Natl. Acad. Sci. U. S. A. ., .-..

Assembly members:

Assembly members:
PagP, polymer, 170 residues, Formula weight is not available

Natural source:

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

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PagP: MNADEWMTTFRENIAQTWQQ PEHYDLYIPAITWHARFAYD KEKTDRYNERPWGGGFGLSR WDEKGNWHGLYAMAFKDSWN KWEPIAGYGWESTWRPLADE NFHLGLGFTAGVTARDNWNY IPLPVLLPLASVGYGPVTFQ MTYIPGTYNNGNVYFAWMRF QFLEHHHHHH

Data sets:

assigned_chemical_shifts
- PagPin_CYFOS-7

Data type	Count
1H chemical shifts	117
13C chemical shifts	232
15N chemical shifts	117

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	PagP in CYFOS-7	1

Entities:

Entity 1, PagP in CYFOS-7 170 residues - Formula weight is not available

1	MET	ASN	ALA	ASP	GLU	TRP	MET	THR	THR	PHE
2	ARG	GLU	ASN	ILE	ALA	GLN	THR	TRP	GLN	GLN
3	PRO	GLU	HIS	TYR	ASP	LEU	TYR	ILE	PRO	ALA
4	ILE	THR	TRP	HIS	ALA	ARG	PHE	ALA	TYR	ASP
5	LYS	GLU	LYS	THR	ASP	ARG	TYR	ASN	GLU	ARG
6	PRO	TRP	GLY	GLY	GLY	PHE	GLY	LEU	SER	ARG
7	TRP	ASP	GLU	LYS	GLY	ASN	TRP	HIS	GLY	LEU
8	TYR	ALA	MET	ALA	PHE	LYS	ASP	SER	TRP	ASN
9	LYS	TRP	GLU	PRO	ILE	ALA	GLY	TYR	GLY	TRP
10	GLU	SER	THR	TRP	ARG	PRO	LEU	ALA	ASP	GLU
11	ASN	PHE	HIS	LEU	GLY	LEU	GLY	PHE	THR	ALA
12	GLY	VAL	THR	ALA	ARG	ASP	ASN	TRP	ASN	TYR
13	ILE	PRO	LEU	PRO	VAL	LEU	LEU	PRO	LEU	ALA
14	SER	VAL	GLY	TYR	GLY	PRO	VAL	THR	PHE	GLN
15	MET	THR	TYR	ILE	PRO	GLY	THR	TYR	ASN	ASN
16	GLY	ASN	VAL	TYR	PHE	ALA	TRP	MET	ARG	PHE
17	GLN	PHE	LEU	GLU	HIS	HIS	HIS	HIS	HIS	HIS

Samples:

sample_1: PagP, [U-13C; U-15N; U-2H], 1.0 mM; CYFOS-7 mM

Ex-cond_1: pH: 6.0; temperature: 318 K

Experiments:

Name	Sample	Sample state	Sample conditions
not available	sample_1	not available	Ex-cond_1

Software:

No software information available

NMR spectrometers:

Varian INOVA 600 MHz
Varian INOVA 800 MHz

BMRB	5557
PDB	1MM4 1MM5 1THQ 3GP6
DBJ	BAA35265 BAB34084 BAG76214 BAI24026 BAI29493
EMBL	CAP75122 CAQ31098 CAQ97476 CAR02004 CAR06827
GB	AAA67555 AAB40822 AAC73723 AAG54957 AAN42294
REF	NP_286349 NP_308688 NP_415155 NP_706587 NP_752642
SP	D2AA19 E0J1Q4 E8Y6Y6 P37001 Q0T6N3
AlphaFold	D2AA19 E0J1Q4 E8Y6Y6 P37001 Q0T6N3

1	MET	ASN	ALA	ASP	GLU	TRP	MET	THR	THR	PHE
2	ARG	GLU	ASN	ILE	ALA	GLN	THR	TRP	GLN	GLN
3	PRO	GLU	HIS	TYR	ASP	LEU	TYR	ILE	PRO	ALA
4	ILE	THR	TRP	HIS	ALA	ARG	PHE	ALA	TYR	ASP
5	LYS	GLU	LYS	THR	ASP	ARG	TYR	ASN	GLU	ARG
6	PRO	TRP	GLY	GLY	GLY	PHE	GLY	LEU	SER	ARG
7	TRP	ASP	GLU	LYS	GLY	ASN	TRP	HIS	GLY	LEU
8	TYR	ALA	MET	ALA	PHE	LYS	ASP	SER	TRP	ASN
9	LYS	TRP	GLU	PRO	ILE	ALA	GLY	TYR	GLY	TRP
10	GLU	SER	THR	TRP	ARG	PRO	LEU	ALA	ASP	GLU
11	ASN	PHE	HIS	LEU	GLY	LEU	GLY	PHE	THR	ALA
12	GLY	VAL	THR	ALA	ARG	ASP	ASN	TRP	ASN	TYR
13	ILE	PRO	LEU	PRO	VAL	LEU	LEU	PRO	LEU	ALA
14	SER	VAL	GLY	TYR	GLY	PRO	VAL	THR	PHE	GLN
15	MET	THR	TYR	ILE	PRO	GLY	THR	TYR	ASN	ASN
16	GLY	ASN	VAL	TYR	PHE	ALA	TRP	MET	ARG	PHE
17	GLN	PHE	LEU	GLU	HIS	HIS	HIS	HIS	HIS	HIS

1	MET	ASN	ALA	ASP	GLU	TRP	MET	THR	THR	PHE
2	ARG	GLU	ASN	ILE	ALA	GLN	THR	TRP	GLN	GLN
3	PRO	GLU	HIS	TYR	ASP	LEU	TYR	ILE	PRO	ALA
4	ILE	THR	TRP	HIS	ALA	ARG	PHE	ALA	TYR	ASP
5	LYS	GLU	LYS	THR	ASP	ARG	TYR	ASN	GLU	ARG
6	PRO	TRP	GLY	GLY	GLY	PHE	GLY	LEU	SER	ARG
7	TRP	ASP	GLU	LYS	GLY	ASN	TRP	HIS	GLY	LEU
8	TYR	ALA	MET	ALA	PHE	LYS	ASP	SER	TRP	ASN
9	LYS	TRP	GLU	PRO	ILE	ALA	GLY	TYR	GLY	TRP
10	GLU	SER	THR	TRP	ARG	PRO	LEU	ALA	ASP	GLU
11	ASN	PHE	HIS	LEU	GLY	LEU	GLY	PHE	THR	ALA
12	GLY	VAL	THR	ALA	ARG	ASP	ASN	TRP	ASN	TYR
13	ILE	PRO	LEU	PRO	VAL	LEU	LEU	PRO	LEU	ALA
14	SER	VAL	GLY	TYR	GLY	PRO	VAL	THR	PHE	GLN
15	MET	THR	TYR	ILE	PRO	GLY	THR	TYR	ASN	ASN
16	GLY	ASN	VAL	TYR	PHE	ALA	TRP	MET	ARG	PHE
17	GLN	PHE	LEU	GLU	HIS	HIS	HIS	HIS	HIS	HIS