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BMRB: 26016

2NCE

Solution Structure of Ca2+-bound C2 domain from Protein Kinase C alpha in the form of complex with V5-pHM peptide

Authors

Yang, Y., Igumenova, T.I.

Assembly

Ca2+-bound C2 domain in complex with V5-pHM peptide

Entity

1. C2 (polymer, Thiol state: not present), 139 monomers, 16215.24 Da Detail

HTEKRGRIYL KAEVTDEKLH VTVRDAKNLI PMDPNGLSDP YVKLKLIPDP KNESKQKTKT IRSTLNPQWN ESFTFKLKPS DKDRRLSVEI WDWDRTTRND FMGSLSFGVS ELMKMPASGW YKLLNQEEGE YYNVPIPEG

2. CALCIUM ION (non-polymer), 40.078 × 2 Da

Total weight

16295.396 Da

Max. entity weight

16215.24 Da

Source organism

Rattus norvegicus

Exptl. method

solution NMR

Refine. method

DGSA-distance geometry simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 92.9 %, Completeness (bb): 96.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	92.9 % (1580 of 1701)	92.7 % (834 of 900)	92.1 % (605 of 657)	97.9 % (141 of 144)
Backbone	96.6 % (786 of 814)	98.2 % (270 of 275)	94.6 % (388 of 410)	99.2 % (128 of 129)
Sidechain	90.4 % (921 of 1019)	90.2 % (564 of 625)	90.8 % (344 of 379)	86.7 % (13 of 15)
Aromatic	84.6 % (115 of 136)	91.2 % (62 of 68)	76.6 % (49 of 64)	100.0 % (4 of 4)
Methyl	97.7 % (125 of 128)	96.9 % (62 of 64)	98.4 % (63 of 64)

1. C2

HTEKRGRIYL KAEVTDEKLH VTVRDAKNLI PMDPNGLSDP YVKLKLIPDP KNESKQKTKT IRSTLNPQWN ESFTFKLKPS DKDRRLSVEI WDWDRTTRND FMGSLSFGVS ELMKMPASGW YKLLNQEEGE YYNVPIPEG

Show sample condition

Sample

Solvent system 92% H2O/8% D2O, Pressure 1 atm, Temperature 296.15 K, pH 6.0

#	Name	Isotope labeling	Concentration
1	CALCIUM ION	natural abundance	2.225 mM
2	C2	[U-13C; U-15N]	0.89 mM
3	MES	natural abundance	6.7 mM
4	potassium chloride	natural abundance	67 mM
5	sodium azide	natural abundance	0.02 %
6	pHM peptide	natural abundance	2 mM
7	H2O	natural abundance	92 %
8	D2O	natural abundance	8 %

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: 0.06 ppm, Outliers: 1 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: 0.06 ppm, Outliers: 1 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: -0.11 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: 0.75 ppm, Outliers: 3 Detail

Protein Blocks Logo

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

Release date

2016-07-05

Citation

Structural Basis of Protein Kinase Cα Regulation by the C-Terminal Tail
Yang, Y., Shu, C., Li, P., Igumenova, T.I.
Biophys. J. (2018), 114, 1590-1603, PubMed 29642029 , DOI 10.1016/j.bpj.2017.12.030 , Abstract

Related entities 1. C2, : 1 : 2 : 65 entities Detail

Experiments performed 15 experiments Detail

1 2D 1H-15N HSQC