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BMRB: 19977

2MPF

Solution structure human HCN2 CNBD in the cAMP-unbound state

Authors

Saponaro, A., Pauleta, S.R., Cantini, F., Matzapetakis, M., Hammann, C., Banci, L., Thiel, G., Santoro, B., Moroni, A.

Assembly

human HCN2 CNBD in the cAMP-unbound state

Entity

1. human HCN2 CNBD in the cAMP-unbound state (polymer, Thiol state: all free), 158 monomers, 17963.67 Da Detail

GPSSPMELNG PLREEIVNFN CRKLVASMPL FANADPNFVT AMLTKLKFEV FQPGDYIIRE GTIGKKMYFI QHGVVSVLTK GNKEMKLSDG SYFGEICLLT RGRRTASVRA DTYCRLYSLS VDNFNEVLEE YPMMRRAFET VAIDRLDRIG KKNSILLH

Formula weight

17963.67 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

torsion angle dynamics, molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.8 %, Completeness: 90.3 %, Completeness (bb): 92.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	90.3 % (1697 of 1880)	94.1 % (924 of 982)	84.8 % (624 of 736)	92.0 % (149 of 162)
Backbone	92.9 % (868 of 934)	93.8 % (300 of 320)	92.4 % (428 of 463)	92.7 % (140 of 151)
Sidechain	88.9 % (972 of 1093)	94.3 % (624 of 662)	80.7 % (339 of 420)	81.8 % (9 of 11)
Aromatic	47.3 % (69 of 146)	93.2 % (68 of 73)	1.4 % (1 of 73)
Methyl	99.4 % (175 of 176)	100.0 % (88 of 88)	98.9 % (87 of 88)

1. entity

GPSSPMELNG PLREEIVNFN CRKLVASMPL FANADPNFVT AMLTKLKFEV FQPGDYIIRE GTIGKKMYFI QHGVVSVLTK GNKEMKLSDG SYFGEICLLT RGRRTASVRA DTYCRLYSLS VDNFNEVLEE YPMMRRAFET VAIDRLDRIG KKNSILLH

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	entity	[U-15N]	1 mM
2	potassium phosphate	natural abundance	20 mM
3	potassium chloride	natural abundance	150 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
4	entity	[U-13C; U-15N]	1 mM
5	potassium phosphate	natural abundance	20 mM
6	potassium chloride	natural abundance	150 mM

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
7	entity	natural abundance	1 mM
8	potassium phosphate	natural abundance	20 mM
9	potassium chloride	natural abundance	150 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
¹³C	dioxane	methylene carbons	69.4 ppm	external	direct	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

Referencing offset: -0.02 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
¹³C	dioxane	methylene carbons	69.4 ppm	external	direct	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

Referencing offset: -0.02 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
¹³C	dioxane	methylene carbons	69.4 ppm	external	direct	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

Referencing offset: 0.05 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
¹³C	dioxane	methylene carbons	69.4 ppm	external	direct	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

Referencing offset: 0.25 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2014-09-01

Citation

Structural basis for the mutual antagonism of cAMP and TRIP8b in regulating HCN channel function
Saponaro, A., Pauleta, S.R., Cantini, F., Matzapetakis, M., Hammann, C., Banci, L., Thiel, G., Santoro, B., Moroni, A.
Proc. Natl. Acad. Sci. U. S. A. (2014), 111, 14577-14582, PubMed 25197093 , DOI 10.1073/pnas.1410389111 , Abstract

Related entities 1. human HCN2 CNBD in the cAMP-unbound state, : 1 : 18 : 132 entities Detail

Interaction partners 1. human HCN2 CNBD in the cAMP-unbound state, : 3 interactors Detail

More details for 3 interactors identified by 3 citations

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC