BMRB Entry 34695

Name: Solution NMR structure of halophilic DnaE intein
Published: 2022-04-22

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PDB ID: 7qil
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34695
MolProbity Validation Chart

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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:

Solution NMR structure of halophilic DnaE intein

Deposition date:

2021-12-15

Original release date:

2022-04-22

Authors:

Heikkinen, H.; Aranko, S.; Iwai, H.

Citation:

Citation: Heikkinen, H.; Aranko, A.; Iwai, H.. "The NMR structure of the engineered halophilic DnaE intein for segmental isotopic labeling using conditional protein splicing" J. Magn. Reson. 338, 107195-107195 (2022).
PubMed: 35398651

Assembly members:

Assembly members:
entity_1, polymer, 140 residues, 15460.542 Da.

Natural source:

Natural source: Common Name: Nostoc Taxonomy ID: 1177 Superkingdom: Bacteria Kingdom: not available Genus/species: Nostoc not available

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: SGGALSYDTEILTTEYGLLP IGDIVESETECTVYSVDSDG STYTQGVAEWHDRGEQEVFE YCLEDGSTIRATKDHKFMTT DGEMLPIDEIFESELDLMRV DSSGDTKIATREYTGSEDVY DIGVESDHNFALSDGFIASN

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	547
15N chemical shifts	133
1H chemical shifts	871

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1

Entities:

Entity 1, unit_1 140 residues - 15460.542 Da.

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

Name	Sample	Sample state	Sample conditions
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D HCCH-COSY	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks

BMRB Entry 34695

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

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

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

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