BMRB Entry 15734

Name: Solution Structure of cGMP-binding GAF domain of Phosphodiesterase 5
Published: 2008-08-28

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PDB ID: 2k31
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15734
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Solution Structure of cGMP-binding GAF domain of Phosphodiesterase 5 PubMed: 18534985

Deposition date: 2008-04-16 Original release date: 2008-08-28

Authors: Heikaus, Clemens; Stout, Joseph; Sekharan, Monica; Eakin, Catherine; Rajagopal, Ponni; Brzovic, Peter; Beavo, Joseph; Klevit, Rachel

Citation: Heikaus, Clemens; Stout, Joseph; Sekharan, Monica; Eakin, Catherine; Rajagopal, Ponni; Brzovic, Peter; Beavo, Joseph; Klevit, Rachel. "Solution Structure of the cGMP Binding GAF Domain from Phosphodiesterase 5: INSIGHTS INTO NUCLEOTIDE SPECIFICITY, DIMERIZATION, AND cGMP-DEPENDENT CONFORMATIONAL CHANGE" J. Biol. Chem. 283, 22749-22759 (2008).

Assembly members:
mPDE5_GAFA, polymer, 176 residues, 20037.4 Da.
GUANOSINE-3',5'-MONOPHOSPHATE, non-polymer, 345.205 Da.

Natural source: Common Name: Mus musculus Taxonomy ID: 10090 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mus musculus

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

Entity Sequences (FASTA):
mPDE5_GAFA: MDVTALCHKIFLHIHGLISA DRYSLFLVCEDSSKDKFLIS RLFDVAEGSTLEEASNNCIR LEWNKGIVGHVAAFGEPLNI KDAYEDPRFNAEVDQITGYK TQSILCMPIKNHREEVVGVA QAINKKSGNGGTFTEKDEKD FAEYLAFCGEVLHNAQLYET SLLENKRNLEHHHHHH

Data sets:

assigned_chemical_shifts
- assignments_5GAFA_N-AI

Data type	Count
1H chemical shifts	978
13C chemical shifts	636
15N chemical shifts	151

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1
2	GUANOSINE-3',5'-MONOPHOSPHATE	2

Samples:

unlabeled_5A: GUANOSINE-3',5'-MONOPHOSPHATE0.5 – 1.2 mM; mPDE5_GAFA0.5 – 1.2 mM; sodium chloride 150 mM; PMSF 1 mM; DTT 1-5 mM; EDTA 0.1 mM; sodium phosphate 25 mM; D2O 10%; H2O 90%

15N_5A: GUANOSINE-3',5'-MONOPHOSPHATE0.5 – 1.2 mM; mPDE5_GAFA, [U-100% 15N], 0.5 – 1.2 mM; sodium chloride 150 mM; PMSF 1 mM; DTT 1-5 mM; EDTA 0.1 mM; sodium phosphate 25 mM; D2O 10%; H2O 90%

2H_13C_15N_5A: GUANOSINE-3',5'-MONOPHOSPHATE0.5 – 1.2 mM; mPDE5_GAFA, [U-100% 13C; U-100% 15N; 80% 2H], 0.5 – 1.2 mM; sodium chloride 150 mM; PMSF 1 mM; DTT 1-5 mM; EDTA 0.1 mM; sodium phosphate 25 mM; D2O 10%; H2O 90%

13C_15N_5A: GUANOSINE-3',5'-MONOPHOSPHATE0.5 – 1.2 mM; mPDE5_GAFA, [U-100% 13C; U-100% 15N], 0.5 – 1.2 mM; sodium chloride 150 mM; PMSF 1 mM; DTT 1-5 mM; EDTA 0.1 mM; sodium phosphate 25 mM; D2O 10%; H2O 90%

15N_5A_2: GUANOSINE-3',5'-MONOPHOSPHATE0.5 – 1.2 mM; mPDE5_GAFA, [U-100% 15N], 0.5 – 1.2 mM; sodium chloride 150 mM; PMSF 1 mM; DTT 1-5 mM; EDTA 0.1 mM; sodium phosphate 25 mM; D2O 100%

13C_15N_5A_2: GUANOSINE-3',5'-MONOPHOSPHATE0.5 – 1.2 mM; mPDE5_GAFA, [U-100% 13C; U-100% 15N], 0.5 – 1.2 mM; sodium chloride 150 mM; PMSF 1 mM; DTT 1-5 mM; EDTA 0.1 mM; sodium phosphate 25 mM; D2O 100%

sample_conditions_1: temperature: 310 K; pH: 7; pressure: 1 atm; ionic strength: 150 mM

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	15N_5A	isotropic	sample_conditions_1
2D 1H-13C HSQC	13C_15N_5A	isotropic	sample_conditions_1
2D 1H-1H NOESY	unlabeled_5A	isotropic	sample_conditions_1
3D HNCO	2H_13C_15N_5A	isotropic	sample_conditions_1
3D HNCA	2H_13C_15N_5A	isotropic	sample_conditions_1
3D HNCACB	2H_13C_15N_5A	isotropic	sample_conditions_1
3D CBCA(CO)NH	2H_13C_15N_5A	isotropic	sample_conditions_1
3D HCCH-COSY	13C_15N_5A	isotropic	sample_conditions_1
3D HN(COCA)CB	2H_13C_15N_5A	isotropic	sample_conditions_1
3D HCCH-TOCSY	13C_15N_5A	isotropic	sample_conditions_1
3D 1H-15N NOESY	13C_15N_5A	isotropic	sample_conditions_1
3D 1H-13C NOESY	13C_15N_5A_2	isotropic	sample_conditions_1
3D HN(CO)CA	2H_13C_15N_5A	isotropic	sample_conditions_1
2D 1H-15N HSQC	15N_5A_2	isotropic	sample_conditions_1

PDB	2K31
DBJ	BAA84660 BAC27332
GB	EGW02508
TPG	DAA28931

Biological Magnetic Resonance Data Bank

BMRB Entry 15734

Title: Solution Structure of cGMP-binding GAF domain of Phosphodiesterase 5 PubMed: 18534985

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