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BMRB: 16347

2KJZ

Solution NMR structure of protein ATC0852 from Agrobacterium tumefaciens. Northeast Structural Genomics Consortium (NESG) target AtT2.

Authors

Lemak, A., Yee, A., Gutmanas, A., Fares, C., Garcia, M., Montelione, G., Arrowsmith, C.

Assembly

ATC0852

Entity

1. ATC0852 (polymer, Thiol state: not present), 144 monomers, 15808.46 × 2 Da Detail

MGSSHHHHHH SSGRENLYFQ GHMTHPDFTI LYVDNPPAST QFYKALLGVD PVESSPTFSL FVLANGMKLG LWSRHTVEPK ASVTGGGGEL AFRVENDAQV DETFAGWKAS GVAMLQQPAK MEFGYTFTAA DPDSHRLRVY AFAG

Total weight

31616.92 Da

Max. entity weight

15808.46 Da

Source organism

Agrobacterium tumefaciens

Exptl. method

solution NMR

Refine. method

restrained molecular dynamics

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 88.9 %, Completeness: 78.4 %, Completeness (bb): 83.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	78.4 % (1274 of 1625)	79.8 % (664 of 832)	74.8 % (483 of 646)	86.4 % (127 of 147)
Backbone	83.5 % (708 of 848)	84.7 % (249 of 294)	81.6 % (341 of 418)	86.8 % (118 of 136)
Sidechain	74.5 % (676 of 907)	77.1 % (415 of 538)	70.4 % (252 of 358)	81.8 % (9 of 11)
Aromatic	46.6 % (95 of 204)	59.8 % (61 of 102)	32.0 % (32 of 100)	100.0 % (2 of 2)
Methyl	98.5 % (132 of 134)	97.0 % (65 of 67)	100.0 % (67 of 67)

1. ATC0852

MGSSHHHHHH SSGRENLYFQ GHMTHPDFTI LYVDNPPAST QFYKALLGVD PVESSPTFSL FVLANGMKLG LWSRHTVEPK ASVTGGGGEL AFRVENDAQV DETFAGWKAS GVAMLQQPAK MEFGYTFTAA DPDSHRLRVY AFAG

Show sample condition

Sample

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

#	Name	Isotope labeling	Concentration
1	atc0852	[U-13C; U-15N]	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: -0.03 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: -0.03 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: -0.07 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: 0.22 ppm, Outliers: 2 Detail

Protein Blocks Logo

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

Release date

2009-07-06

Citation

Solution structure of protein ATC0852 from Agrobacterium tumefaciens
Lemak, A., Yee, A., Gutmanas, A., Fares, C., Garcia, M., Montelione, G., Arrowsmith, C.
Not known

Related entities 1. ATC0852, : 1 : 9 entities Detail

Experiments performed 10 experiments Detail

1 3D HNCO