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BMRB: 15721

2N4D

Solution structure of protein ATU1203 from AGROBACTERIUM TUMEFACIENS. NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) target ATT10, Ontario Center for Structural Proteomics target ATC1183

Authors

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

Assembly

ATU1203

Entity

1. ATU1203 (polymer, Thiol state: all free), 85 monomers, 8752.611 Da Detail

MGSSHHHHHH SSGRENLYFQ GAGLSFHVED MTCGHCAGVI KGAIEKTVPG AAVHADPASR TVVVGGVSDA AHIAEIITAA GYTPE

Formula weight

8752.611 Da

Source organism

Agrobacterium tumefaciens

Exptl. method

solution NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 71.8 %, Completeness: 62.9 %, Completeness (bb): 65.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	62.9 % (548 of 871)	63.4 % (277 of 437)	63.1 % (221 of 350)	59.5 % (50 of 84)
Backbone	65.3 % (329 of 504)	65.7 % (117 of 178)	66.4 % (162 of 244)	61.0 % (50 of 82)
Sidechain	61.7 % (272 of 441)	61.8 % (160 of 259)	62.2 % (112 of 180)	0.0 % (0 of 2)
Aromatic	3.9 % (3 of 76)	5.3 % (2 of 38)	2.6 % (1 of 38)
Methyl	93.6 % (88 of 94)	93.6 % (44 of 47)	93.6 % (44 of 47)

1. ATU1203

MGSSHHHHHH SSGRENLYFQ GAGLSFHVED MTCGHCAGVI KGAIEKTVPG AAVHADPASR TVVVGGVSDA AHIAEIITAA GYTPE

Show sample condition

Sample

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

#	Name	Isotope labeling	Concentration
1	ATU1203	[U-13C; U-15N]	0.5 mM
2	MOPS	natural abundance	10 mM
3	sodium chloride	natural abundance	450 mM
4	DTT	natural abundance	10 mM
5	benzamidine	natural abundance	10 mM
6	NaN3	natural abundance	0.01 %
7	ZnSO4	natural abundance	10 uM

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: -0.34 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: -0.34 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: -0.13 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: 0.26 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2K2P, Strand ID: A Detail

Release date

2008-04-16

Citation

Solution structure of protein Atu1203 from Agrobacterium tumefaciens
Lemak, A., Gutmanas, A., Yee, A., Semesi, A., Arrowsmith, C.

Related entities 1. ATU1203, : 1 : 2 : 5 entities Detail

Experiments performed 9 experiments Detail

1 3D HNCO