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BMRB: 25852

2N8J

Structure and 15N relaxation data of Calmodulin bound to the endothelial Nitric Oxide Synthase Calmodulin Binding Domain Peptide at Physiological Calcium Concentration

Authors

Piazza, M., Guillemette, G., Dieckmann, T.

Assembly

CaM-eNOS

Entity

1. CaM (polymer, Thiol state: not present), 148 monomers, 16706.21 Da Detail

ADQLTEEQIA EFKEAFSLFD KDGDGTITTK ELGTVMRSLG QNPTEAELQD MINEVDADGN GTIDFPEFLT MMARKMKDTD SEEEIREAFR VFDKDGNGYI SAAELRHVMT NLGEKLTDEE VDEMIREADI DGDGQVNYEE FVQMMTAK

2. eNOS (polymer, Thiol state: not present), 22 monomers, 2380.802 Da Detail

TRKKTFKEVA NAVKISASLM GT

Total weight

19087.014 Da

Max. entity weight

16706.21 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, heteronucl_NOEs, heteronucl_T1_relaxation, heteronucl_T2_relaxation, order_parameters

Chem. Shift Complete

Sequence coverage: 95.9 %, Completeness: 72.0 %, Completeness (bb): 75.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	72.0 % (1386 of 1926)	79.6 % (796 of 1000)	59.6 % (444 of 745)	80.7 % (146 of 181)
Backbone	75.8 % (770 of 1016)	92.0 % (322 of 350)	60.8 % (303 of 498)	86.3 % (145 of 168)
Sidechain	69.8 % (745 of 1068)	72.9 % (474 of 650)	66.7 % (270 of 405)	7.7 % (1 of 13)
Aromatic	16.4 % (18 of 110)	29.1 % (16 of 55)	3.6 % (2 of 55)
Methyl	82.9 % (141 of 170)	87.1 % (74 of 85)	78.8 % (67 of 85)

1. CaM

ADQLTEEQIA EFKEAFSLFD KDGDGTITTK ELGTVMRSLG QNPTEAELQD MINEVDADGN GTIDFPEFLT MMARKMKDTD SEEEIREAFR VFDKDGNGYI SAAELRHVMT NLGEKLTDEE VDEMIREADI DGDGQVNYEE FVQMMTAK

2. eNOS

TRKKTFKEVA NAVKISASLM GT

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
1	CaM	[U-99% 13C; U-99% 15N]	1 mM
2	eNOS	natural abundance	1 mM
3	potassium chloride	natural abundance	100 mM
4	MOPS	natural abundance	30 mM
5	EGTA	natural abundance	4 mM
6	CaEGTA	natural abundance	6 mM

Protein Blocks Logo

Calculated from 20 models in PDB: 2N8J, Strand ID: A, B Detail

Heteronucl. T₁

134 T₁ values in 1 lists
Coherence Iz, Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 298 K, pH 7.2 Detail

Heteronucl. T₂

135 T₂ values in 1 lists
Coherence I(+,-), Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 298 K, pH 7.2 Detail

Heteronucl. NOE

146 NOE values in 1 lists
Value type peak integral, Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 298 K, pH 7.2 Detail

Heteronucl. T₁/T₂

132 T₁/T₂ values in 1 lists
Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 298 K, pH 7.2 Detail

Order parameters

125 S² values in 1 lists
Pressure 1 atm, Temperature 298 K, pH 7.2 Detail

Release date

2016-10-05

Citation

Structural Studies of a Complex Between Endothelial Nitric Oxide Synthase and Calmodulin at Physiological Calcium Concentration
Piazza, M., Guillemette, G., Dieckmann, T.
Biochemistry (2016), PubMed 27696828 , DOI 10.1021/acs.biochem.6b00821 , Abstract

Related entities 1. CaM, : 11 : 88 entities Detail

Related entities 2. eNOS, : 3 : 5 entities Detail

Experiments performed 7 experiments Detail

1 2D 1H-15N HSQC