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BMRB: 15269

2JQ4

Complete resonance assignments and solution structure calcualtion of ATC2521 (NESG ID: AtT6) from Agrobacterium tumeraciens

Authors

Srisailam, S., Lemak, A., Yee, A., Karra, M.D., Lukin, J.A., Arrowsmith, C.H.

Assembly

ATC2521

Entity

1. ATC2521 (polymer, Thiol state: not present), 188 monomers, 20518.00 Da Detail

MGSSHHHHHH SSGRENLYFQ GHMNATIREI LAKFGQLPTP VDTIADEADL YAAGLSSFAS VQLMLGIEEA FDIEFPDNLL NRKSFASIKA IEDTVKLILD GKEAAMNATI REILAKFGQL PTPVDTIADE ADLYAAGLSS FASVQLMLGI EEAFDIEFPD NLLNRKSFAS IKAIEDTVKL ILDGKEAA

Formula weight

20518.0 Da

Source organism

Agrobacterium tumefaciens

Exptl. method

solution NMR

Refine. method

DGSA-distance geometry simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 55.9 %, Completeness: 47.4 %, Completeness (bb): 50.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	47.4 % (1014 of 2138)	47.2 % (518 of 1097)	47.1 % (399 of 847)	50.0 % (97 of 194)
Backbone	50.3 % (561 of 1116)	50.1 % (191 of 381)	50.5 % (279 of 553)	50.0 % (91 of 182)
Sidechain	45.5 % (546 of 1199)	45.7 % (327 of 716)	45.2 % (213 of 471)	50.0 % (6 of 12)
Aromatic	19.8 % (32 of 162)	28.4 % (23 of 81)	11.1 % (9 of 81)
Methyl	55.5 % (131 of 236)	53.4 % (63 of 118)	57.6 % (68 of 118)

1. ATC2521

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 7.0

#	Name	Isotope labeling	Concentration
1	ATC2521	[U-100% 13C; U-100% 15N]	1 (±0.2) mM
2	TRIS	natural abundance	10 (±0.2) mM
3	glycerol	natural abundance	5 (±0.2) %
4	Benzamidine	natural abundance	1 (±0.2) mM
5	sodium chloride	natural abundance	300 (±0.2) mM
6	sodium azide	natural abundance	0.01 (±0.1) %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 7.0

#	Name	Isotope labeling	Concentration
7	ATC2521	[U-100% 13C; U-100% 15N]	1 (±0.2) mM
8	TRIS	natural abundance	10 (±0.2) mM
9	glycerol	natural abundance	5 (±0.2) %
10	Benzamidine	natural abundance	1 (±0.2) mM
11	sodium chloride	natural abundance	300 (±0.2) mM
12	sodium azide	natural abundance	0.01 (±0.1) %

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: -0.2 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: -0.2 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: 0.05 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	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.28 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2JQ4, Strand ID: A Detail

Release date

2007-07-04

Citation

Solution Structure of a protein (ATC2521)of unknow function from Agrobacterium tumefaciens
Srisailam, S., Lemak, A., Yee, A., Karra, M.D., Lukin, J.A., Arrowsmith, C.H.
Not known

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC