BMRB Entry 16632

Name: Kalirin DH1 NMR structure
Published: 2012-08-03

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PDB ID: 2kr9
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16632
MolProbity Validation Chart

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

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Title:

Kalirin DH1 NMR structure

Deposition date:

2009-12-10

Original release date:

2012-08-03

Authors:

Gorbatyuk, Vitaliy; Schiller, Martin; Hoch, Jeffrey

Citation:

Citation: Gorbatyuk, Vitaliy; Schiller, Martin; Gorbatyuk, Oksana; Barwinski, Marek; Hoch, Jeffrey. "N-terminal Dbl domain of the RhoGEF, Kalirin" J. Biomol. NMR 52, 269-276 (2012).
PubMed: 22314704

Assembly members:

Assembly members:
KalDH1, polymer, 190 residues, 21965.1487 Da.

Natural source:

Natural source: Common Name: Norway rat Taxonomy ID: 10116 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Rattus norvegicus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pGEX6P

Entity Sequences (FASTA):

Entity Sequences (FASTA):
KalDH1: GPLGSPEFPGRKKEFIMAEL LQTEKAYVRDLHECLETYLW EMTSGVEEIPPGILNKEHII FGNIQEIYDFHNNIFLKELE KYEQLPEDVGHCFVTWADKF QMYVTYCKNKPDSNQLILEH AGTFFDEIQQRHGLANSISS YLIKPVQRVTKYQLLLKELL TCCEEGKGELKDGLEVMLSV PKKANDAMHV

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
- assigned_chem_shift_list_2
spectral_peak_list

Data type	Count
13C chemical shifts	1792
15N chemical shifts	398
1H chemical shifts	2788

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	KalDH1	1

Entities:

Entity 1, KalDH1 190 residues - 21965.1487 Da.

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

Name	Sample	Sample state	Sample conditions
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_2	isotropic	sample_conditions_1
aroChsqc (H[C[caro]])	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC/HMQC	sample_2	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC/HMQC	sample_1	isotropic	sample_conditions_1
4dCNnoesy (H[C]_H[N].NOESY)	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC/HMQC	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	sample_1	isotropic	sample_conditions_1
3D HCCH-COSY	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D HBHACONH	sample_1	isotropic	sample_conditions_1
3D HNHA	sample_2	isotropic	sample_conditions_1
3D NhsqcnoesyNhsqc	sample_2	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 16632

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

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

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

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