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BMRB: 16929

2KXV

NMR structure and calcium-binding properties of the tellurite resistance protein TerD from Klebsiella pneumoniae

Authors

Pan, Y., Lou, Y., Rizo, J., Chen, C.

Assembly

TerD-CA2+

Entity

1. TerD (polymer, Thiol state: all free), 200 monomers, 21558.45 Da Detail

MSVSLSKGGN VSLSKTAPSM KNVLVGLGWD ARSTDGQDFD LDASAFLLAA NGKVRGDADF IFYNNLKSAD GSVTHTGDNR TGEGDGDDES LKIKLDAVPG DVDKIIFVVT IHDAQARRQS FGQVSGAFIR LVNDDNQTEV ARYDLTEDAS TETAMLFGEL YRHNGEWKFR AVGQGYAGGL ASVCAQYGIN ASLEHHHHHH

2. CA (non-polymer), 40.078 Da

Total weight

21598.527 Da

Max. entity weight

21558.45 Da

Source organism

Klebsiella pneumoniae

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.5 %, Completeness: 91.1 %, Completeness (bb): 94.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	91.1 % (1987 of 2182)	89.3 % (996 of 1115)	92.5 % (786 of 850)	94.5 % (205 of 217)
Backbone	94.6 % (1131 of 1196)	94.0 % (395 of 420)	94.6 % (547 of 578)	95.5 % (189 of 198)
Sidechain	88.1 % (1026 of 1164)	86.5 % (601 of 695)	90.9 % (409 of 450)	84.2 % (16 of 19)
Aromatic	72.6 % (138 of 190)	75.8 % (72 of 95)	68.8 % (64 of 93)	100.0 % (2 of 2)
Methyl	98.6 % (209 of 212)	97.2 % (103 of 106)	100.0 % (106 of 106)

1. TerD

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 7, Details 13C and 15N labeled KP-TerD

#	Name	Isotope labeling	Concentration
1	potassium phosphate	natural abundance	20 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %

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: 0.11 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: 0.11 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: -0.2 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: 0.41 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2010-12-01

Citation

NMR structure and calcium-binding properties of the tellurite resistance protein TerD from Klebsiella pneumoniae
Pan, Y., Lou, Y., Seven, A.B., Rizo, J., Chen, C.
J. Mol. Biol. (2011), 405, 1188-1201, PubMed 21112337 , DOI 10.1016/j.jmb.2010.11.041 , Abstract

Related entities 1. TerD, : 1 : 1 : 1 : 15 entities Detail

Experiments performed 14 experiments Detail

1 2D 1H-15N HSQC