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BMRB: 6699

2MAZ

Backbone 1H, 13C, 15N and heavy atoms Chemical Shift Assignments for La3+ monosubstituted calbindin D9k

Authors

Balayssac, S., Jimenez, B., Piccioli, M.

Assembly

Calbindin D9k monomer

Entity

1. Calcium Protein (polymer, Thiol state: not present), 75 monomers, 8534.553 Da Detail

KSPEELKGIF EKYAAKEGDP NQLSKEELKL LLQTEFPSLL KGMSTLDELF EELDKNGDGE VSFEEFQVLV KKISQ

2. CA (non-polymer), 40.078 Da
3. LA (non-polymer), 138.905 Da

Total weight

8713.536 Da

Max. entity weight

8534.553 Da

Source organism

Bos taurus

Exptl. method

NMR

Refine. method

simulated annealing, torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 54.0 %, Completeness (bb): 98.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	54.0 % (495 of 917)	36.5 % (177 of 485)	67.8 % (240 of 354)	100.0 % (78 of 78)
Backbone	98.2 % (436 of 444)	96.7 % (147 of 152)	98.6 % (217 of 220)	100.0 % (72 of 72)
Sidechain	23.2 % (126 of 543)	9.0 % (30 of 333)	44.1 % (90 of 204)	100.0 % (6 of 6)
Aromatic	0.0 % (0 of 58)	0.0 % (0 of 29)	0.0 % (0 of 29)
Methyl	3.9 % (3 of 76)	2.6 % (1 of 38)	5.3 % (2 of 38)

1. Calcium Protein

KSPEELKGIF EKYAAKEGDP NQLSKEELKL LLQTEFPSLL KGMSTLDELF EELDKNGDGE VSFEEFQVLV KKISQ

Show sample condition

Sample

Temperature 300 (±0.1) K, pH 6.0 (±0.01)

#	Name	Isotope labeling	Concentration
1	Calbindin D9k	[U-95% 13C; U-98% 15N]	1 mM
2	CALCIUM (II) ION		1 mM
3	LANTHANUM (III) ION		1 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type
¹³C	DSS	methyl protons	internal	direct
¹H	H2O	protons	external	direct
¹⁵N	liquid NH3	nitrogen	external	direct

Referencing offset: 2.75 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type
¹³C	DSS	methyl protons	internal	direct
¹H	H2O	protons	external	direct
¹⁵N	liquid NH3	nitrogen	external	direct

Referencing offset: 2.75 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type
¹³C	DSS	methyl protons	internal	direct
¹H	H2O	protons	external	direct
¹⁵N	liquid NH3	nitrogen	external	direct

Referencing offset: 0.12 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type
¹³C	DSS	methyl protons	internal	direct
¹H	H2O	protons	external	direct
¹⁵N	liquid NH3	nitrogen	external	direct

Referencing offset: 2.12 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2006-04-26

Citation 1

Assignment strategy for fast relaxing signals: complete aminoacid identification in thulium substituted calbindin D 9K
Balayssac, S., Jimenez, B., Piccioli, M.
J. Biomol. NMR (2006), 34, 63-73, PubMed 16518694 , DOI 10.1007/s10858-005-5359-z , Abstract

Show more 1 citaion

Citation 2

Paramagnetism-based versus classical constraints: an analysis of the solution structure of Ca Ln calbindin D9k
Bertini, I., Donaire, A., Jimenez, B., Luchinat, C., Parigi, G., Piccioli, M., Poggi, L.
J. Biomol. NMR (2001), 21, 85-98, PubMed 11727989 , Abstract

Hide non-primary 1 citaion

Related entities 1. Calcium Protein, : 1 : 3 : 14 : 266 entities Detail

Experiments performed 11 experiments Detail

1 1H,15N-HSQC