BMRB Entry 16250

Name: NMR solution structure of the EH 1 domain from human intersectin-1 protein. Northeast Structural Genomics Consortium target HR3646e.
Published: 2009-06-11

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PDB ID: 2khn
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR16250
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

NMR solution structure of the EH 1 domain from human intersectin-1 protein. Northeast Structural Genomics Consortium target HR3646e.

Deposition date:

2009-04-09

Original release date:

2009-06-11

Authors:

Mills, Jeffrey; Ghosh, Arindam; Garcia, Erwin; Zhang, Qi; Shastry, Ritu; Foote, Erica; Janjua, Haleema; Acton, Thomas; Xiao, Rong; Everett, John; Montelione, Gaetano; Szyperski, Thomas

Citation:

Citation: Mills, Jeffrey; Ghosh, Arindam; Garcia, Erwin; Zhang, Qi; Shastry, Ritu; Foote, Erica; Janjua, Haleema; Acton, Thomas; Xiao, Rong; Everett, John; Montelione, Gaetano; Szyperski, Thomas. "NMR solution structure of the EH 1 domain from human intersectin-1 protein. Northeast Structural Genomics Consortium target HR3646e." .

Assembly members:

Assembly members:
HR3646E, polymer, 121 residues, 13614.668 Da.

Natural source:

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

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET 14-15C

Entity Sequences (FASTA):

Entity Sequences (FASTA):
HR3646E: MGHHHHHHSHMAQFPTPFGG SLDTWAITVEERAKHDQQFH SLKPISGFITGDQARNFFFQ SGLPQPVLAQIWALADMNND GRMDQVEFSIAMKLIKLKLQ GYQLPSALPPVMKQQPVAIS S

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	352
15N chemical shifts	112
1H chemical shifts	741

Time Domain Data

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	HR3646E	1

Entities:

Entity 1, HR3646E 121 residues - 13614.668 Da.

1

MET

GLY

HIS

SER

HIS

2

MET

ALA

GLN

PHE

PRO

THR

PRO

PHE

GLY

3

SER

LEU

ASP

THR

TRP

ALA

ILE

THR

VAL

GLU

4

GLU

ARG

ALA

LYS

HIS

ASP

GLN

PHE

HIS

5

SER

LEU

LYS

PRO

ILE

SER

GLY

PHE

ILE

THR

6

GLY

ASP

GLN

ALA

ARG

ASN

PHE

GLN

7

SER

GLY

LEU

PRO

GLN

PRO

VAL

LEU

ALA

GLN

8

ILE

TRP

ALA

LEU

ALA

ASP

MET

ASN

ASP

9

GLY

ARG

MET

ASP

GLN

VAL

GLU

PHE

SER

ILE

10

ALA

MET

LYS

LEU

ILE

LYS

LEU

LYS

LEU

GLN

11

GLY

TYR

GLN

LEU

PRO

SER

ALA

LEU

PRO

12

VAL

MET

LYS

GLN

PRO

VAL

ALA

ILE

SER

13

SER

Samples:

NC: HR3646E, [U-98% 13C; U-98% 15N], 0.87 mM; MES 20 mM; sodium chloride 200 mM; calcium chloride 5 mM; DTT 10 mM; sodium azide 0.02%; H20 90%; D20 10%

NC5: HR3646E, [U-5% 13C; U-98% 15N], 0.81 mM; MES 20 mM; sodium chloride 200 mM; calcium chloride 5 mM; DTT 10 mM; sodium azide 0.02%; H20 90%; D20 10%

sample_conditions_1: ionic strength: 430 mM; pH: 6.5; pressure: 1.0 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	NC	isotropic	sample_conditions_1
3D sim. 15N,13C NOESY	NC	isotropic	sample_conditions_1
2D 1H-13C HSQC	NC	isotropic	sample_conditions_1
2D 1H-13C HSQC	NC5	isotropic	sample_conditions_1
3D HNCO	NC	isotropic	sample_conditions_1
GFT (4,3)D HNCABCA	NC	isotropic	sample_conditions_1
GFT (4,3)D CABCA(CO)NH	NC	isotropic	sample_conditions_1
GFT (4,3)D arom. HCCH	NC	isotropic	sample_conditions_1
GFT (4,3)D aliph. HCCH	NC	isotropic	sample_conditions_1
GFT (4,3)D HABCAB(CO)NH	NC	isotropic	sample_conditions_1

Software:

VNMRJ, Varian - collection

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

SPSCAN, Glaser - processing

XEASY, Bartels et al. - chemical shift assignment, data analysis, peak picking

AutoAssign, Zimmerman, Moseley, Kulikowski and Montelione - structure solution

TALOS, Cornilescu, Delaglio and Bax - geometry optimization

CYANA, Guntert, Mumenthaler and Wuthrich - chemical shift assignment, structure solution

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

Molmol, Koradi, Billeter and Wuthrich - data analysis

PSVS, Bhattacharya and Montelione - data analysis

NMR spectrometers:

Varian INOVA 750 MHz
Varian INOVA 600 MHz

PDB	2KHN
GB	ABW71829
REF	XP_004318550