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BMRB: 15013

2JMC

Chimer between Spc-SH3 and P41

Authors

van Nuland, N.A.J., Candel, A.M., Martinez, J.C., Conejero-Lara, F., Bruix, M.

Assembly

SPCp41 monomer

Entity

1. SPCp41 monomer (polymer, Thiol state: not present), 77 monomers, 8453.436 Da Detail

GAMGPREVTM KKGDILTLLN STNKDWWKVE VNDRQGFVPA AYVKKLDSGT GKELVLALYD YQESGDNAPS YSPPPPP

Formula weight

8453.436 Da

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 92.0 %, Completeness (bb): 96.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	92.0 % (817 of 888)	97.8 % (455 of 465)	82.4 % (285 of 346)	100.0 % (77 of 77)
Backbone	96.0 % (428 of 446)	98.7 % (151 of 153)	92.9 % (208 of 224)	100.0 % (69 of 69)
Sidechain	89.5 % (458 of 512)	97.4 % (304 of 312)	76.0 % (146 of 192)	100.0 % (8 of 8)
Aromatic	51.5 % (34 of 66)	97.0 % (32 of 33)	0.0 % (0 of 31)	100.0 % (2 of 2)
Methyl	91.9 % (68 of 74)	97.3 % (36 of 37)	86.5 % (32 of 37)

1. SPCp41

GAMGPREVTM KKGDILTLLN STNKDWWKVE VNDRQGFVPA AYVKKLDSGT GKELVLALYD YQESGDNAPS YSPPPPP

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 3.5

#	Name	Isotope labeling	Concentration
1	SPCp41	[U-98% 13C; U-98% 15N]	1 mM
2	glycine		20 mM
3	H2O		90 %
4	D2O		10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 3.5

#	Name	Isotope labeling	Concentration
5	SPCp41	[U-98% 15N]	1 mM
6	glycine		20 mM
7	H2O		90 %
8	D2O		10 %

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 3.5

#	Name	Concentration
9	SPCp41	1 mM
10	glycine	20 mM
11	H2O	90 %
12	D2O	10 %

LACS Plot; CA

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

Referencing offset: -0.15 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.15 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: -0.06 ppm, Outliers: 3 Detail

LACS Plot; CO

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

Referencing offset: 0.56 ppm, Outliers: 3 Detail

Protein Blocks Logo

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

Release date

2007-05-09

Citation

The high-resolution NMR structure of a single-chain chimeric protein mimicking a SH3-peptide complex
Candel, A.M., Conejero-Lara, F., Martinez, J.C., van Nuland, N.A.J., Bruix, M.
FEBS Lett. (2007), 581, 687-692, PubMed 17275816 , DOI 10.1016/j.febslet.2007.01.032 , Abstract

Related entities 1. SPCp41 monomer, : 1 : 28 entities Detail

Experiments performed 11 experiments Detail

1 3D CBCA(CO)NH