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BMRB: 15823

2K54

Solution NMR structure of protein Atu0742 from Agrobacterium Tumefaciens. Northeast Structural Genomics Consortium (NESG0) target AtT8. Ontario Center for Structural Proteomics target ATC0727.

Authors

Lemak, A., Yee, A., Gutmanas, A., Fares, C., Semesi, A., Arrowsmith, C.

Assembly

Atu0742

Entity

1. Atu0742 (polymer, Thiol state: all free), 123 monomers, 14059.79 Da Detail

MNSEIELPVQ KQLEAYNARD IDAFMAWWAD DCQYYAFPAT LLAGNAAEIR VRHIERFKEP DLYGELLTRV IVGNVVIDHE TVTRNFPEGK GEVDVACIYE VENGRIAKAW FKIGEPRIVS QKS

Formula weight

14059.79 Da

Source organism

Agrobacterium tumefaciens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.2 %, Completeness: 92.4 %, Completeness (bb): 96.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	92.4 % (1341 of 1451)	93.2 % (701 of 752)	90.7 % (515 of 568)	95.4 % (125 of 131)
Backbone	96.0 % (699 of 728)	96.8 % (240 of 248)	95.6 % (346 of 362)	95.8 % (113 of 118)
Sidechain	90.0 % (755 of 839)	91.5 % (461 of 504)	87.6 % (282 of 322)	92.3 % (12 of 13)
Aromatic	70.9 % (95 of 134)	83.6 % (56 of 67)	56.3 % (36 of 64)	100.0 % (3 of 3)
Methyl	100.0 % (146 of 146)	100.0 % (73 of 73)	100.0 % (73 of 73)

1. Atu0742

MNSEIELPVQ KQLEAYNARD IDAFMAWWAD DCQYYAFPAT LLAGNAAEIR VRHIERFKEP DLYGELLTRV IVGNVVIDHE TVTRNFPEGK GEVDVACIYE VENGRIAKAW FKIGEPRIVS QKS

Show sample condition

Sample

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

#	Name	Isotope labeling	Concentration
1	Atu0742	[U-13C; U-15N]	0.5 mM
2	mops	natural abundance	10 mM
3	potassium chloride	natural abundance	450 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	H2O	natural abundance	90 %
9	D2O	[U-100% 2H]	10 %

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: -0.18 ppm, Outliers: 2 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: -0.18 ppm, Outliers: 2 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: -0.04 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: 0.21 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2K54, Strand ID: A Detail

Release date

2008-08-07

Citation

Solution structure of protein ATC0727 from Agrobacterium Tumefaciens
Lemak, A., Yee, A., Gutmanas, A., Fares, C., Semesi, A., Arrowsmith, C.
Not known

Related entities 1. Atu0742, : 1 : 5 entities Detail

Experiments performed 10 experiments Detail

1 3D HNCO