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BMRB: 16955

2KYF

solution structure of calcium-bound CPV3

Authors

Henzl, M.T., Tanner, J.J., Tan, A.

Assembly

calcium-bound CPV3

Entity

1. ca bound CPV3 (polymer, Thiol state: all free), 108 monomers, 11959.17 Da Detail

SLTDILSPSD IAAALRDCQA PDSFSPKKFF QISGMSKKSS SQLKEIFRIL DNDQSGFIEE DELKYFLQRF ESGARVLTAS ETKTFLAAAD HDGDGKIGAE EFQEMVQS

2. CA (non-polymer), 40.078 Da

Total weight

11999.248 Da

Max. entity weight

11959.17 Da

Source organism

Gallus gallus

Exptl. method

solution NMR

Refine. method

TORSION ANGLE DYNAMICS

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.1 %, Completeness: 93.7 %, Completeness (bb): 98.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	93.7 % (1166 of 1244)	96.6 % (626 of 648)	88.8 % (429 of 483)	98.2 % (111 of 113)
Backbone	98.8 % (634 of 642)	98.6 % (216 of 219)	99.1 % (315 of 318)	98.1 % (103 of 105)
Sidechain	89.9 % (633 of 704)	95.6 % (410 of 429)	80.5 % (215 of 267)	100.0 % (8 of 8)
Aromatic	36.3 % (37 of 102)	72.5 % (37 of 51)	0.0 % (0 of 51)
Methyl	100.0 % (100 of 100)	100.0 % (50 of 50)	100.0 % (50 of 50)

1. ca bound CPV3

SLTDILSPSD IAAALRDCQA PDSFSPKKFF QISGMSKKSS SQLKEIFRIL DNDQSGFIEE DELKYFLQRF ESGARVLTAS ETKTFLAAAD HDGDGKIGAE EFQEMVQS

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.0, Details 0.15 M NaCl, 0.01 M Mes, pH 6.0, 0.1 mM Ca2+

#	Name	Isotope labeling	Concentration
1	ca-bound CPV3	natural abundance	3.0 (±0.25) mM
2	sodium chloride	natural abundance	150 (±3.0) mM
3	MES	natural abundance	10 (±0.2) mM
4	calcium chloride (free)	natural abundance	0.1 (±0.002) mM
5	D2O	natural abundance	10 (±1.0) %
6	sodium azide	natural abundance	0.1 (±0.01) %
7	H2O	natural abundance	90 (±1.0) %

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: 0.08 ppm, Outliers: 3 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: 0.08 ppm, Outliers: 3 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: 0.08 ppm, Outliers: 1 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: -0.57 ppm, Outliers: 3 Detail

Protein Blocks Logo

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

Release date

2011-05-04

Citation

Solution structures of chicken parvalbumin 3 in the Ca(2+)-free and Ca(2+)-bound states
Henzl, M.T., Tanner, J.J., Tan, A.
Proteins (2011), 79, 752-764, PubMed 21287610 , DOI 10.1002/prot.22915 , Abstract

Related entities 1. ca bound CPV3, : 1 : 1 : 1 : 145 entities Detail

Experiments performed 17 experiments Detail

1 3D 1H-15N NOESY