BMRB Entry 25761

Name: NMR structure of a DUF1491 family protein (CC_1065) from Caulobacter crescentus CB15
Published: 2015-10-12

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PDB ID: 2n6e
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25761
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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:

NMR structure of a DUF1491 family protein (CC_1065) from Caulobacter crescentus CB15

Deposition date:

2015-08-19

Original release date:

2015-10-12

Authors:

Qin, Haina; Serrano, Pedro; Wuthrich, Kurt

Citation:

Citation: Qin, Haina; Wuthrich, Kurt; Serrano, Pedro. "NMR structure of a DUF1491 family protein (CC_1065) from Caulobacter crescentus CB15" to be published ., .-..

Assembly members:

Assembly members:
entity, polymer, 110 residues, 12262.887 Da.

Natural source:

Natural source: Common Name: a-proteobacteria Taxonomy ID: 190650 Superkingdom: Bacteria Kingdom: not available Genus/species: not available not available

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: GMLLSTDIWVAALIRRAELG GAFATVARKGDARAGAVLVK AVDRREGTARLFSEATRGDG ERFWMQPVRSTFEPDLDAYA ERAARIDPDIWVVEIEDRDG RHFLTEPVES

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	355
15N chemical shifts	107
1H chemical shifts	715

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity	1

Entities:

Entity 1, entity 110 residues - 12262.887 Da.

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

Samples:

sample_1: entity, [U-98% 13C; U-98% 15N], 1.2 mM; sodium chloride 50 mM; sodium phosphate 20 mM; sodium azide 5 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.240 M; pH: 6.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
APSY 4D-HACANH	sample_1	isotropic	sample_conditions_1
APSY 5D-CBCACONH	sample_1	isotropic	sample_conditions_1
APSY 5D-HACACONH	sample_1	isotropic	sample_conditions_1

Software:

CYANA, G??ntert P. - refinement

NMR spectrometers:

Bruker Avance 600 MHz
Bruker Avance 800 MHz

PDB	2N6E 4GOQ
GB	AAK23049 ACL94583
REF	NP_419881 WP_010918949 YP_002516491

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

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