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BMRB: 16352

2KK4

Solution NMR structure of protein AF2094 from Archaeoglobus fulgidus. Northeast Structural Genomics Consotium (NESG) target GT2

Authors

Lemak, A., Yee, A., Wu, B., Karra, M., Ramelot, T., Fares, C., Semesi, A., Kennedy, M., Montelione, G., Arrowsmith, C.

Assembly

AF2094

Entity

1. AF2094 (polymer, Thiol state: all free), 95 monomers, 10712.92 Da Detail

QGHMDLICMY VFKGEESFGE SIDVYGDYLI VKVGTEFLAV PKKSIKSVED GRIVIGEFDE EEARELGRKW LEEKSKPVTL EELKSYGFGE EGEGS

Formula weight

10712.92 Da

Source organism

Archaeoglobus fulgidus

Exptl. method

solution NMR

Refine. method

restrained molecular dynamics

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 98.9 %, Completeness: 91.4 %, Completeness (bb): 95.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	91.4 % (1017 of 1113)	92.3 % (536 of 581)	89.2 % (390 of 437)	95.8 % (91 of 95)
Backbone	95.6 % (541 of 566)	95.0 % (190 of 200)	95.6 % (261 of 273)	96.8 % (90 of 93)
Sidechain	88.4 % (557 of 630)	90.8 % (346 of 381)	85.0 % (210 of 247)	50.0 % (1 of 2)
Aromatic	61.2 % (60 of 98)	79.6 % (39 of 49)	41.7 % (20 of 48)	100.0 % (1 of 1)
Methyl	100.0 % (92 of 92)	100.0 % (46 of 46)	100.0 % (46 of 46)

1. AF2094

QGHMDLICMY VFKGEESFGE SIDVYGDYLI VKVGTEFLAV PKKSIKSVED GRIVIGEFDE EEARELGRKW LEEKSKPVTL EELKSYGFGE EGEGS

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
1	af2094	natural abundance	0.5 mM
2	TRIS	natural abundance	10 mM
3	sodium chloride	natural abundance	300 mM
4	ZnSO4	natural abundance	10 uM
5	DTT	natural abundance	10 mM
6	NaN3	natural abundance	0.01 %
7	benzamidine	natural abundance	10 mM
8	D2O	natural abundance	10 %
9	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: -0.12 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: -0.12 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: 0.03 ppm, Outliers: 2 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: 0.14 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2KK4, Strand ID: A Detail

Release date

2009-07-06

Citation

Solution NMR structure of proterin AF2094 from Archaeoglobus fulgidus
Lemak, A., Yee, A., Wu, B., Karra, M., Ramelot, T., Fares, C., Semesi, A., Kennedy, M., Montelione, G., Arrowsmith, C.
Not known

Related entities 1. AF2094, : 1 : 1 entities Detail

Experiments performed 9 experiments Detail

1 3D HNCO