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BMRB: 19238

2MES

Backbone 1H, 13C, 15N resonance assignments of calcium-bound calmodulin in complex with PSD95 N-terminal peptide

Authors

Zhang, Y., Ames, J.B.

Assembly

Calmodulin prototypical calcium sensor

Entity

1. Calmodulin prototypical calcium sensor (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. PSD95 N-terminal peptide (polymer, Thiol state: all free), 71 monomers, 7992.732 Da Detail

MDCLCIVTTK KYRYQDEDTP PLEHSPAHLP NQANSPPVIV NTDTLEAPGY ELQVNGTEGE MEYEEITLER G

Total weight

24698.943 Da

Max. entity weight

16706.21 Da

Source organism

Xenopus laevis

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 67.6 %, Completeness: 47.2 %, Completeness (bb): 66.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	47.2 % (1167 of 2470)	43.5 % (558 of 1284)	48.5 % (464 of 957)	63.3 % (145 of 229)
Backbone	66.3 % (859 of 1296)	66.0 % (293 of 444)	65.7 % (422 of 642)	68.6 % (144 of 210)
Sidechain	32.3 % (445 of 1378)	31.5 % (265 of 840)	34.5 % (179 of 519)	5.3 % (1 of 19)
Aromatic	0.0 % (0 of 140)	0.0 % (0 of 70)	0.0 % (0 of 70)
Methyl	29.9 % (64 of 214)	31.8 % (34 of 107)	28.0 % (30 of 107)

1. Calmodulin prototypical calcium sensor

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

2. PSD95 N-terminal peptide

MDCLCIVTTK KYRYQDEDTP PLEHSPAHLP NQANSPPVIV NTDTLEAPGY ELQVNGTEGE MEYEEITLER G

Show sample condition

Sample

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	Calmodulin, PSD95NT, DTT, Tris, CaCl2	[U-99% 13C; U-99% 15N]	400 (±0.2) uM
2	PSD95_N-terminal_peptide	natural abundance	600 uM
3	Tris-d11	natural abundance	20 mM
4	NaCl	natural abundance	50 mM
5	CaCl2	natural abundance	5 mM
6	DTT-d	natural abundance	5 mM
7	H2O	natural abundance	93 %
8	D2O	natural abundance	7 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.15 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.15 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.17 ppm, Outliers: 3 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.64 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2MES, Strand ID: A, B Detail

Release date

2014-12-21

Citation

Capping of the N-terminus of PSD-95 by calmodulin triggers its postsynaptic release
Zhang, Y., Matt, L., Patriarchi, T., Malik, Z.A., Chowdhury, D., Park, D.K., Renieri, A., Ames, J.B., Hell, J.W.
EMBO J. (2014), 33, 1341-1353, PubMed 24705785 , DOI 10.1002/embj.201488126 , Abstract

Related entities 1. Calmodulin prototypical calcium sensor, : 11 : 88 entities Detail

Related entities 2. PSD95 N-terminal peptide, : 1 : 6 : 12 entities Detail

Interaction partners 2. PSD95 N-terminal peptide, : 73 interactors Detail

More details for 73 interactors identified by 33 citations

Experiments performed 5 experiments Detail

1 2D 1H-15N HSQC