BMRB Entry 18612

Name: NMR solution structure of human HisRS splice variant
Published: 2013-09-03

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PDB ID: 2lw7
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18612
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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 solution structure of human HisRS splice variant

Deposition date:

2012-07-24

Original release date:

2013-09-03

Authors:

Ye, Fei; Wei, Zhiyi; Wu, Jingjing; Schimmel, Paul; Zhang, Mingjie

Citation:

Citation: Ye, Fei; Wei, Zhiyi; Wu, Jingjing; Schimmel, Paul; Zhang, Mingjie. "NMR solution structure of human HisRS splice variant" Structure ., .-..

Assembly members:

Assembly members:
HisRS, polymer, 170 residues, 19208.521 Da.

Natural source:

Natural source: Common Name: Humans Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET32

Entity Sequences (FASTA):

Entity Sequences (FASTA):
HisRS: AERAALEELVKLQGERVRGL KQQKASAELIEEEVAKLLKL KAQLGPDESKQKFVLKTPKA LEEKIRTTETQVLVASAQKK LLEERLKLVSELQDAGIKAE LLYKKNPKLLNQLQYCEEAG IPLVAIIGEQELKDGVIKLR SVTSREEVDVRREDLVEEIK RRTGQPLSIS

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	503
15N chemical shifts	162
1H chemical shifts	1097

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	HisRS	1

Entities:

Entity 1, HisRS 170 residues - 19208.521 Da.

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

Samples:

sample_1: entity, [U-100% 13C; U-100% 15N], 0.8 mM; D2O, nautral abundance, 100%

sample_conditions_1: ionic strength: 100 mM; pH: 6.5; pressure: 1 atm; temperature: 303 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	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

Software:

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution

NMR spectrometers:

Varian INOVA 800 MHz

PDB	2LW7 4G84
DBJ	BAG54103
GB	EAW62021

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

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