BMRB Entry 16808

Name: Solution NMR Structure of Cyclin-dependent kinase 2-associated protein 1 (CDK2-associated protein 1; oral cancer suppressor Deleted in oral cancer 1, DOC-1) from H.sapiens, Northeast Structural Genomics Consortium Target Target HR3057H
Published: 2010-04-28

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PDB ID: 2kw6
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR16808
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 Cyclin-dependent kinase 2-associated protein 1 (CDK2-associated protein 1; oral cancer suppressor Deleted in oral cancer 1, DOC-1) from H.sapiens, Northeast Structural Genomics Consortium Target Target HR3057H

Deposition date:

2010-03-31

Original release date:

2010-04-28

Authors:

Ertekin, Asli; Aramini, James; Rossi, Paolo; Ramelot, Theresa; Lee, Hsiau-Wei; Jiang, Mei; Ciccosanti, Colleen; Xiao, Rong; Swapna, Gurla; Rost, Burkhard; Everett, John; Acton, Thomas; Prestegard, James; Montelione, Gaetano

Citation:

Citation: Ertekin, Asli; Aramini, James; Rossi, Paolo; Lee, Hsiau-Wei; Jiang, Mei; Ciccosanti, Colleen; Xiao, Rong; Swapna, Gurla; Rost, Burkhard; Everett, John; Acton, Thomas; Prestegard, James; Montelione, Gaetano. "Solution NMR Structure of Cyclin-dependent kinase 2-associated protein 1 (CDK2-associated protein 1; oral cancer suppressor Deleted in oral cancer 1, DOC-1) from H.sapiens, Northeast Structural Genomics Consortium Target Target HR3057H" To be published ., .-..

Assembly members:

Assembly members:
HR3057H, polymer, 65 residues, 14863.186 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: BL21

Entity Sequences (FASTA):

Entity Sequences (FASTA):
HR3057H: MGHHHHHHSHSKYAELLAII EELGKEIRPTYAGSKSAMER LKRGIIHARGLVRECLAETE RNARS

Data sets:

RDCs
- RDC_list_1
- RDC_list_2
assigned_chemical_shifts
- assigned_chem_shift_list_1
spectral_peak_list
- C13_noesy
- N15_noesy

Data type	Count
13C chemical shifts	241
15N chemical shifts	54
1H chemical shifts	388

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	HR3057H	1

Entities:

Entity 1, HR3057H 65 residues - 14863.186 Da.

the protein is a dimer in solution

1

MET

GLY

HIS

SER

HIS

2

SER

LYS

TYR

ALA

GLU

LEU

ALA

ILE

3

GLU

LEU

GLY

LYS

GLU

ILE

ARG

PRO

THR

4

TYR

ALA

GLY

SER

LYS

SER

ALA

MET

GLU

ARG

5

LEU

LYS

ARG

GLY

ILE

HIS

ALA

ARG

GLY

6

LEU

VAL

ARG

GLU

CYS

LEU

ALA

GLU

THR

GLU

7

ARG

ASN

ALA

ARG

SER

Samples:

sample_2: HR3057H, [U-5% 13C; U-100% 15N], 0.68 mM; MES 20 mM; DSS 50 uM; NaCl 200 mM; DTT 10 mM; CaCl2 5 mM; sodium azide 0.02%; H2O 95%; D2O 5%

sample_3: HR3057H, [U-100% 13C; U-100% 15N], 0.92 mM; HR3057H, unlabeled, 0.92 mM; MES 20 mM; DSS 50 uM; NaCl 200 mM; DTT 10 mM; CaCl2 5 mM; sodium azide 0.02%; H2O 95%; D2O 5%

sample_4: HR3057H, [U-5% 13C; U-100% 15N], 0.68 mM; MES 20 mM; DSS 50 uM; NaCl 200 mM; DTT 10 mM; CaCl2 5 mM; sodium azide 0.02%; Polyacrylamide Gel 7%; H2O 95%; D2O 5%

sample_5: HR3057H, [U-100% 13C; U-100% 15N], 0.9 mM; MES 20 mM; DSS 50 uM; NaCl 200 mM; DTT 10 mM; CaCl2 5 mM; sodium azide 0.02%; PEG 4.2%; H2O 95%; D2O 5%

sample_1: HR3057H, [U-100% 13C; U-100% 15N], 0.9 mM; MES 20 mM; DSS 50 uM; NaCl 200 mM; DTT 10 mM; CaCl2 5 mM; sodium azide 0.02%; H2O 95%; D2O 5%

sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
2D 1H-13C arom NOESY	sample_1	isotropic	sample_conditions_1
3D (H)CCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HC(C)H-TOCSY	sample_1	isotropic	sample_conditions_1
3D HCCH-COSY	sample_1	isotropic	sample_conditions_1
2D 1H-15N hetNOE	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO	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-13C HSQC high res. (L/V methyl stereospecific assignment)	sample_2	isotropic	sample_conditions_1
2D 1H-15N T1 relaxation	sample_2	isotropic	sample_conditions_1
2D 1H-15N T2 relaxation	sample_2	isotropic	sample_conditions_1
2D 1H-15N hetNOE	sample_2	isotropic	sample_conditions_1
X-filtered 13C NOESY	sample_3	isotropic	sample_conditions_1
2D 1H-15N TROSY	sample_4	isotropic	sample_conditions_1
3D HNCO	sample_5	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