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BMRB: 17532

2LAP

NMR structure of Ca2+-bound CaBP1 C-domain with RDC

Authors

Ames, J.

Assembly

CaBP1

Entity

1. CaBP1 (polymer, Thiol state: all free), 167 monomers, 19429.80 Da Detail

MGNCVKYPLR NLSRKDRSLR PEEIEELREA FREFDKDKDG YINCRDLGNC MRTMGYMPTE MELIELSQQI NMNLGGHVDF DDFVELMGPK LLAETADMIG VKELRDAFRE FDTNGDGEIS TSELREAMRK LLGHQVGHRD IEEIIRDVDL NGDGRVDFEE FVRMMSR

2. CA (non-polymer), 40.078 Da

Total weight

19469.879 Da

Max. entity weight

19429.8 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 89.8 %, Completeness: 65.0 %, Completeness (bb): 86.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	65.0 % (1269 of 1953)	60.8 % (626 of 1030)	67.0 % (502 of 749)	81.0 % (141 of 174)
Backbone	86.8 % (863 of 994)	86.9 % (299 of 344)	87.1 % (424 of 487)	85.9 % (140 of 163)
Sidechain	48.7 % (542 of 1112)	47.7 % (327 of 686)	51.6 % (214 of 415)	9.1 % (1 of 11)
Aromatic	37.1 % (43 of 116)	67.2 % (39 of 58)	6.9 % (4 of 58)
Methyl	81.6 % (124 of 152)	81.6 % (62 of 76)	81.6 % (62 of 76)

1. CaBP1

MGNCVKYPLR NLSRKDRSLR PEEIEELREA FREFDKDKDG YINCRDLGNC MRTMGYMPTE MELIELSQQI NMNLGGHVDF DDFVELMGPK LLAETADMIG VKELRDAFRE FDTNGDGEIS TSELREAMRK LLGHQVGHRD IEEIIRDVDL NGDGRVDFEE FVRMMSR

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 7.4

#	Name	Isotope labeling	Concentration
1	CaBP1	[U-98% 13C; U-98% 15N]	1.0 mM
2	CA	natural abundance	5.0 mM
3	TRIS	natural abundance	10.0 mM
4	H2O	natural abundance	95 %
5	D2O	natural abundance	5 %

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: -0.02 ppm, Outliers: 3 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: -0.02 ppm, Outliers: 3 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: -0.07 ppm, Outliers: 1 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: -0.47 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 15 models in PDB: 2LAP, Strand ID: A Detail

Release date

2011-06-06

Citation

Nuclear magnetic resonance structure of calcium-binding protein 1 in a Ca(2+) -bound closed state: implications for target recognition
Park, S., Li, C., Ames, J.B.
Protein Sci. (2011), 20, 1356-1366, PubMed 21608059 , DOI 10.1002/pro.662 , Abstract

Related entities 1. CaBP1, : 1 : 1 : 2 : 296 entities Detail

Interaction partners 1. CaBP1, : 4 interactors Detail

More details for 4 interactors identified by 3 citations

Experiments performed 7 experiments Detail

1 2D 1H-15N HSQC