BMRB Entry 7313

Name: 1H, 13C and 15N Backbone Resonance Assignments of the Pactolus I domain
Published: 2007-06-20

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PDB ID: 2iue
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR7313
MolProbity Validation Chart

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

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Title: 1H, 13C and 15N Backbone Resonance Assignments of the Pactolus I domain PubMed: 17523188

Deposition date: 2006-10-09 Original release date: 2007-06-20

Authors: Sen, Mehmet; Legge, Glen

Citation: Sen, Mehmet; Legge, Glen. "Pactolus I-domain: Functional switching of the Rossmann fold" Proteins 68, 626-635 (2007).

Assembly members:
Pactolus I-domain, polymer, 230 residues, 25366 Da.

Natural source: Common Name: Mouse Taxonomy ID: 10090 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mus musculus

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):
Pactolus I-domain: GSSHHHHHHGLVPRGSHDNS VDLYFLMGLSGSAQGHLSNV QTLGSDLLKALNEISRSGRI GFGSIVNMTFQHILKLTADS SQFQRELRKQLVSGKLATPK GQLDAVVQVAICLGEIGWRN GTRFLVLVTDNDFHLAKDKT LGTRQNTSDGRCHLDDGMYR SRGEPDYQSVVQLASKLAEN NIQPIFVVPSRMVKTYEKLT TFIPKLTIGELSDDSSNVAQ LIRNAYSKLS

Data sets:

assigned_chemical_shifts
- chem_shift_list_1

Data type	Count
13C chemical shifts	482
15N chemical shifts	161
1H chemical shifts	161

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	I-domain	1

Entities:

Entity 1, I-domain 230 residues - 25366 Da.

This sequence contains hexameric Histidine Tag

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

Samples:

triple_labelled_sample: Pactolus I-domain, [U-99% 2H; U-99% 15N; U-99% 13C], 0.3 ± 0.01 mM; dTris 10 mM; NaN3 0.05%; D20 5%

double_labelled_sample: Pactolus I-domain, [U-99% 15N; U-99% 13C], 0.3 ± 0.01 mM; dTris 10 mM; NaN3 0.05%; D20 5%

15N_labelled_sample: Pactolus I-domain, [U-99% 15N], 0.3 ± 0.01 mM; dTris 10 mM; NaN3 0.05%; D20 5%

conditions: ionic strength: 10 mM; pH: 6.8; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
HNCA	triple_labelled_sample	not available	conditions
HN(CO)CA	triple_labelled_sample	not available	conditions
HNCB	triple_labelled_sample	not available	conditions
HN(CO)CB	not available	not available	conditions
HN(CA)CO	triple_labelled_sample	not available	conditions
HNCO	triple_labelled_sample	not available	conditions
HSQC-NOESY-HSQC	triple_labelled_sample	not available	conditions
CACB(CO)NH	triple_labelled_sample	not available	conditions
CN-NOESY	triple_labelled_sample	not available	conditions
N-TOCSY	15N_labelled_sample	not available	conditions
N-NOESY	15N_labelled_sample	not available	conditions
HSQC	15N_labelled_sample	not available	conditions

Software:

NMRPipe - Data Processing

NMRView - Data Analysis

NMR spectrometers:

Bruker Avance 800 MHz
Bruker Avance 600 MHz

PDB	2IUE
DBJ	BAE23399
GB	AAC25502 AAI13143 EDL03670 EDL03671
REF	NP_032431 XP_006522988 XP_006522989 XP_006522990 XP_006522991
SP	Q3UV74

Biological Magnetic Resonance Data Bank