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BMRB: 16385

2KL6

Solution NMR structure of the CARDB domain of PF1109 from Pyrococcus furiosus. Northeast Structural Genomics Consortium target PfR193A

Authors

Aramini, J.M., Lee, D., Ciccosanti, C., Hamilton, K., Nair, R., Rost, B., Acton, T.B., Xiao, R., Swapna, G.V.T., Everett, J.K., Montelione, G.T.

Assembly

PF1109

Entity

1. PF1109 (polymer, Thiol state: not present), 114 monomers, 12852.27 Da Detail

MEFPDLTVEI KGPDVVGVNK LAEYEVHVKN LGGIGVPSTK VRVYINGTLY KNWTVSLGPK EEKVLTFSWT PTQEGMYRIN ATVDEENTVV ELNENNNVAT FDVSVVLEHH HHHH

Formula weight

12852.27 Da

Source organism

Pyrococcus furiosus

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.4 %, Completeness: 94.1 %, Completeness (bb): 93.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	94.1 % (1244 of 1322)	93.9 % (636 of 677)	94.1 % (492 of 523)	95.1 % (116 of 122)
Backbone	93.6 % (631 of 674)	93.1 % (215 of 231)	93.7 % (313 of 334)	94.5 % (103 of 109)
Sidechain	91.9 % (693 of 754)	92.2 % (411 of 446)	91.9 % (271 of 295)	84.6 % (11 of 13)
Aromatic	67.5 % (77 of 114)	68.4 % (39 of 57)	69.1 % (38 of 55)	0.0 % (0 of 2)
Methyl	100.0 % (146 of 146)	100.0 % (73 of 73)	100.0 % (73 of 73)

1. CARDB domain

MEFPDLTVEI KGPDVVGVNK LAEYEVHVKN LGGIGVPSTK VRVYINGTLY KNWTVSLGPK EEKVLTFSWT PTQEGMYRIN ATVDEENTVV ELNENNNVAT FDVSVVLEHH HHHH

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	PfR193A	[U-100% 13C; U-100% 15N]	0.65 mM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	200 mM
4	calcium chloride	natural abundance	5 mM
5	DTT	natural abundance	10 mM
6	sodium azide	natural abundance	0.02 %
7	DSS	natural abundance	50 uM
8	D2O	natural abundance	10 %
9	H2O	natural abundance	90 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
10	PfR193A	[U-5% 13C; U-100% 15N]	0.43 mM
11	MES	natural abundance	20 mM
12	sodium chloride	natural abundance	200 mM
13	calcium chloride	natural abundance	5 mM
14	DTT	natural abundance	10 mM
15	sodium azide	natural abundance	0.02 %
16	DSS	natural abundance	50 uM
17	D2O	natural abundance	10 %
18	H2O	natural abundance	90 %

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: 0.21 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: 0.21 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: -0.21 ppm, Outliers: 5 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: 0.78 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2KL6, Strand ID: A Detail

Release date

2009-07-05

Citation

Solution NMR structure of the CARDB domain of PF1109 from Pyrococcus furiosus
Aramini, J.M., Lee, D., Ciccosanti, C., Hamilton, K., Nair, R., Rost, B., Acton, T.B., Xiao, R., Swapna, G.V.T., Everett, J.K., Montelione, G.T.
Not known

Related entities 1. PF1109, : 1 : 1 : 2 entities Detail

Experiments performed 19 experiments Detail

1 2D 1H-15N HSQC