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BMRB: 15805

2K4N

NMR structure of protein PF0246 from Pyrococcus furiosus: target PfR75 from the Northeast Structural Genomics Consortium

Authors

Cort, J.R., Ho, C.K., Shetty, K., Cunningham, K., Ma, L., Xiao, R., Liu, J., Baran, M.C., Swapna, G., Acton, T.B., Rost, B., Montelione, G.T., Kennedy, M.A.

Assembly

PA0246

Entity

1. PA0246 (polymer, Thiol state: not present), 111 monomers, 13436.06 Da Detail

MNSEVIKEFL EDIGEDYIEL ENEIHLKPEV FYEVWKYVGE PELKTYVIED EIVEPGEYDP PEMKYTNVKK VKIKKVYFET LDNVRVVTDY SEFQKILKKR GTKLEHHHHH H

Formula weight

13436.06 Da

Source organism

Pyrococcus furiosus

Exptl. method

solution NMR

Refine. method

torsion angle dynamics, simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.6 %, Completeness: 80.7 %, Completeness (bb): 89.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	80.7 % (1130 of 1400)	76.7 % (563 of 734)	83.9 % (465 of 554)	91.1 % (102 of 112)
Backbone	89.6 % (588 of 656)	85.1 % (188 of 221)	92.1 % (303 of 329)	91.5 % (97 of 106)
Sidechain	75.4 % (642 of 851)	73.1 % (375 of 513)	78.9 % (262 of 332)	83.3 % (5 of 6)
Aromatic	45.1 % (65 of 144)	45.8 % (33 of 72)	43.7 % (31 of 71)	100.0 % (1 of 1)
Methyl	94.9 % (112 of 118)	93.2 % (55 of 59)	96.6 % (57 of 59)

1. PA0426

MNSEVIKEFL EDIGEDYIEL ENEIHLKPEV FYEVWKYVGE PELKTYVIED EIVEPGEYDP PEMKYTNVKK VKIKKVYFET LDNVRVVTDY SEFQKILKKR GTKLEHHHHH H

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	PA0426	[U-100% 13C; U-100% 15N]	1 (±0.1) mM
2	H2O	natural abundance	95 %
3	D2O	[U-100% 2H]	5 %
4	sodium chloride	natural abundance	100 mM
5	MES	natural abundance	20 mM
6	calcium chloride	natural abundance	5 mM
7	sodium azide	natural abundance	0.02 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 313 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
8	PA0426	[U-100% 13C; U-100% 15N]	1 (±0.1) mM
9	D2O	[U-100% 2H]	100 %
10	sodium chloride	natural abundance	100 mM
11	MES	natural abundance	20 mM
12	calcium chloride	natural abundance	5 mM
13	sodium azide	natural abundance	0.02 %

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	external	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.24 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	external	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.24 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	external	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.05 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	external	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.21 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2K4N, Strand ID: A Detail

Release date

2009-10-11

Citation

Solution-State NMR Structure of protein PF0246 from Pyrococcus Furiosis
Cort, J.R.
Not known

Related entities 1. PA0246, : 1 entities Detail

Experiments performed 9 experiments Detail

1 2D 1H-15N HSQC