BMRB Entry 5557

Name: Solution NMR structure of the outer membrane enzyme PagP in DPC micelles
Published: 2002-12-27

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR5557

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Solution NMR structure of the outer membrane enzyme PagP in DPC micelles PubMed: 12357033

Deposition date: 2002-10-10 Original release date: 2002-12-27

Authors: Hwang, P.; Choy, W.-Y.; Lo, E.; Chen, L.; Forman-Kay, J.; Raetz, C.; Prive, G.; Bishop, R.; Kay, L.

Citation: Hwang, P.; Choy, W.-Y.; Lo, E.; Chen, L.; Forman-Kay, J.; Raetz, C.; Prive, G.; Bishop, R.; Kay, L.. "Solution Structure and Dynamics of the Outer Membrane Enzyme PagP by NMR" Proc. Natl. Acad. Sci. U.S.A. 99, 13560-13565 (2002).

Assembly members:
PhoPQ-activated gene P, polymer, 170 residues, Formula weight is not available

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

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

Entity Sequences (FASTA):
PhoPQ-activated gene P: MNADEWMTTFRENIAQTWQQ PEHYDLYIPAITWHARFAYD KEKTDRYNERPWGGGFGLSR WDEKGNWHGLYAMAFKDSWN KWEPIAGYGWESTWRPLADE NFHLGLGFTAGVTARDNWNY IPLPVLLPLASVGYGPVTFQ MTYIPGTYNNGNVYFAWMRF QFLEHHHHHH

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1
- chemical_shift_set_2

Data type	Count
1H chemical shifts	291
13C chemical shifts	889
15N chemical shifts	291

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	CrcA protein	1

Entities:

Entity 1, CrcA protein 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: PhoPQ-activated gene P, [U-2H;U-15N;U-13C], 0.8 mM; phosphate 50 mM; DPC 16%; H2O 90%; D2O 10%

sample_2: PhoPQ-activated gene P, [U-2H;U-15N;U-13C], 0.8 mM; phosphate 50 mM; DPC 16%; H2O 90%; D2O 10%

sample_cond_1: pH: 6.0; temperature: 318 K; ionic strength: 50 mM; pressure: 1 atm

Experiments:

Name	Sample	Sample state	Sample conditions
4D 15N-separated NOESY	not available	not available	not available
HNCA	not available	not available	not available
HN(CO)CA	not available	not available	not available
HN(CA)CB	not available	not available	not available
HN(COCA)CB	not available	not available	not available
HNCO	not available	not available	not available
HN(CA)CO	not available	not available	not available

Software:

NMRPipe v2.1 - processing

NMRView v4.0 - data analysis

CNS v1.0 - structure solution, refinement

NMR spectrometers:

Varian INOVA 800 MHz

BMRB	6234
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

Biological Magnetic Resonance Data Bank