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BMRB: 17530

2LAK

Solution NMR structure of the AHSA1-like protein RHE_CH02687 (1-152) from Rhizobium etli, Northeast Structural Genomics Consortium Target ReR242

Authors

Yang, Y., Ramelot, T.A., Cort, J.R., Wang, D., Ciccosanti, C., Janjua, H., Rost, N.B., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T., Kennedy, M.A.

Assembly

AHSA1-like protein RHE CH02687 (1-152)

Entity

1. AHSA1-like protein RHE CH02687 (1-152) (polymer, Thiol state: all free), 160 monomers, 17575.59 Da Detail

MEKAMPESFV VRREAHLAAP PAAVFALMTD PEKILRWMGT EAEVEPEPGG LYLVNVTGAR FARGSFREVV PVHRLAYSFG WDGSEVVPPG SSLVEIDLIE QGGGTLLRLT HSGLPSAEQC AGHEEGWAHY LGRLTEVAAG RDPGPDPFYG RRLEHHHHHH

Formula weight

17575.59 Da

Source organism

Rhizobium etli

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.2 %, Completeness: 91.2 %, Completeness (bb): 92.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	91.2 % (1635 of 1793)	91.8 % (850 of 926)	90.6 % (647 of 714)	90.2 % (138 of 153)
Backbone	92.9 % (868 of 934)	93.8 % (305 of 325)	92.6 % (428 of 462)	91.8 % (135 of 147)
Sidechain	90.1 % (902 of 1001)	90.7 % (545 of 601)	89.8 % (354 of 394)	50.0 % (3 of 6)
Aromatic	71.5 % (123 of 172)	73.3 % (63 of 86)	71.1 % (59 of 83)	33.3 % (1 of 3)
Methyl	95.8 % (161 of 168)	95.2 % (80 of 84)	96.4 % (81 of 84)

1. AHSA1-like protein RHE CH02687 (1-152) from Rhizobium etli

MEKAMPESFV VRREAHLAAP PAAVFALMTD PEKILRWMGT EAEVEPEPGG LYLVNVTGAR FARGSFREVV PVHRLAYSFG WDGSEVVPPG SSLVEIDLIE QGGGTLLRLT HSGLPSAEQC AGHEEGWAHY LGRLTEVAAG RDPGPDPFYG RRLEHHHHHH

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	AHSA1-like protein RHE_CH02687 (1-152) from Rhizobium etli	[U-100% 13C; U-100% 15N]	0.72 (±0.07) mM
2	MES	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	calcium chloride	natural abundance	5 (±0.25) mM
5	sodium azide	natural abundance	0.02 (±0.001) mM
6	DTT	natural abundance	10 (±0.5) mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
7	AHSA1-like protein RHE_CH02687 (1-152) from Rhizobium etli	[U-5% 13C; U-100% 15N]	0.76 (±0.07) mM
8	MES	natural abundance	20 (±1.0) mM
9	sodium chloride	natural abundance	100 (±5.0) mM
10	calcium chloride	natural abundance	5 (±0.25) mM
11	DTT	natural abundance	10 (±0.5) mM
12	sodium azide	natural abundance	0.02 (±0.001) mM

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
13	AHSA1-like protein RHE_CH02687 (1-152) from Rhizobium etli	[U-100% 13C; U-100% 15N]	0.72 (±0.07) mM
14	MES	natural abundance	20 (±1.0) mM
15	sodium chloride	natural abundance	100 (±5.0) mM
16	calcium chloride	natural abundance	5 (±0.25) mM
17	sodium azide	natural abundance	0.02 (±0.001) %
18	DTT	natural abundance	10 (±0.5) mM

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: -0.27 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: -0.27 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: -0.1 ppm, Outliers: 3 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: 0.13 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2011-04-10

Citation

Solution NMR structure of the AHSA1-like protein RHE_CH02687 (1-152) from Rhizobium etli, Northeast Structural Genomics Consortium Target ReR242
Yang, Y., Ramelot, T.A., Cort, J.R., Wang, D., Ciccosanti, C., Janjua, H., Rost, N.B., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T., Kennedy, M.A.
Not known

Related entities 1. AHSA1-like protein RHE CH02687 (1-152), : 1 : 2 entities Detail

Experiments performed 21 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	AHSA1-like protein RHE_CH02687 (1-152) from Rhizobium etli	[U-100% 13C; U-100% 15N]	0.72 (±0.07) mM
2	MES	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	calcium chloride	natural abundance	5 (±0.25) mM
5	sodium azide	natural abundance	0.02 (±0.001) mM
6	DTT	natural abundance	10 (±0.5) mM

2 2D 1H-13C HSQC aliphatic

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	AHSA1-like protein RHE_CH02687 (1-152) from Rhizobium etli	[U-100% 13C; U-100% 15N]	0.72 (±0.07) mM
2	MES	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	calcium chloride	natural abundance	5 (±0.25) mM
5	sodium azide	natural abundance	0.02 (±0.001) mM
6	DTT	natural abundance	10 (±0.5) mM

3 2D 1H-13C HSQC aromatic

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	AHSA1-like protein RHE_CH02687 (1-152) from Rhizobium etli	[U-100% 13C; U-100% 15N]	0.72 (±0.07) mM
2	MES	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	calcium chloride	natural abundance	5 (±0.25) mM
5	sodium azide	natural abundance	0.02 (±0.001) mM
6	DTT	natural abundance	10 (±0.5) mM

4 2D 1H-15N HSQC

Instrument

Bruker Avance III - 850 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
13	AHSA1-like protein RHE_CH02687 (1-152) from Rhizobium etli	[U-100% 13C; U-100% 15N]	0.72 (±0.07) mM
14	MES	natural abundance	20 (±1.0) mM
15	sodium chloride	natural abundance	100 (±5.0) mM
16	calcium chloride	natural abundance	5 (±0.25) mM
17	sodium azide	natural abundance	0.02 (±0.001) %
18	DTT	natural abundance	10 (±0.5) mM

5 2D 1H-13C HSQC

Instrument

Bruker Avance III - 850 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
13	AHSA1-like protein RHE_CH02687 (1-152) from Rhizobium etli	[U-100% 13C; U-100% 15N]	0.72 (±0.07) mM
14	MES	natural abundance	20 (±1.0) mM
15	sodium chloride	natural abundance	100 (±5.0) mM
16	calcium chloride	natural abundance	5 (±0.25) mM
17	sodium azide	natural abundance	0.02 (±0.001) %
18	DTT	natural abundance	10 (±0.5) mM

6 2D 1H-13C HSQC-CT

Instrument

Bruker Avance III - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
7	AHSA1-like protein RHE_CH02687 (1-152) from Rhizobium etli	[U-5% 13C; U-100% 15N]	0.76 (±0.07) mM
8	MES	natural abundance	20 (±1.0) mM
9	sodium chloride	natural abundance	100 (±5.0) mM
10	calcium chloride	natural abundance	5 (±0.25) mM
11	DTT	natural abundance	10 (±0.5) mM
12	sodium azide	natural abundance	0.02 (±0.001) mM

7 3D 1H-15N NOESY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
7	AHSA1-like protein RHE_CH02687 (1-152) from Rhizobium etli	[U-5% 13C; U-100% 15N]	0.76 (±0.07) mM
8	MES	natural abundance	20 (±1.0) mM
9	sodium chloride	natural abundance	100 (±5.0) mM
10	calcium chloride	natural abundance	5 (±0.25) mM
11	DTT	natural abundance	10 (±0.5) mM
12	sodium azide	natural abundance	0.02 (±0.001) mM

8 3D 1H-13C NOESY_aliph

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	AHSA1-like protein RHE_CH02687 (1-152) from Rhizobium etli	[U-100% 13C; U-100% 15N]	0.72 (±0.07) mM
2	MES	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	calcium chloride	natural abundance	5 (±0.25) mM
5	sodium azide	natural abundance	0.02 (±0.001) mM
6	DTT	natural abundance	10 (±0.5) mM

9 3D HNCO

Instrument

Bruker Avance III - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	AHSA1-like protein RHE_CH02687 (1-152) from Rhizobium etli	[U-100% 13C; U-100% 15N]	0.72 (±0.07) mM
2	MES	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	calcium chloride	natural abundance	5 (±0.25) mM
5	sodium azide	natural abundance	0.02 (±0.001) mM
6	DTT	natural abundance	10 (±0.5) mM

10 3D HNCACB

Instrument

Bruker Avance III - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	AHSA1-like protein RHE_CH02687 (1-152) from Rhizobium etli	[U-100% 13C; U-100% 15N]	0.72 (±0.07) mM
2	MES	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	calcium chloride	natural abundance	5 (±0.25) mM
5	sodium azide	natural abundance	0.02 (±0.001) mM
6	DTT	natural abundance	10 (±0.5) mM

11 3D CBCA(CO)NH

Instrument

Bruker Avance III - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	AHSA1-like protein RHE_CH02687 (1-152) from Rhizobium etli	[U-100% 13C; U-100% 15N]	0.72 (±0.07) mM
2	MES	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	calcium chloride	natural abundance	5 (±0.25) mM
5	sodium azide	natural abundance	0.02 (±0.001) mM
6	DTT	natural abundance	10 (±0.5) mM

12 3D HNCA

Instrument

Bruker Avance III - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	AHSA1-like protein RHE_CH02687 (1-152) from Rhizobium etli	[U-100% 13C; U-100% 15N]	0.72 (±0.07) mM
2	MES	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	calcium chloride	natural abundance	5 (±0.25) mM
5	sodium azide	natural abundance	0.02 (±0.001) mM
6	DTT	natural abundance	10 (±0.5) mM

13 3D HN(CO)CA

Instrument

Bruker Avance III - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	AHSA1-like protein RHE_CH02687 (1-152) from Rhizobium etli	[U-100% 13C; U-100% 15N]	0.72 (±0.07) mM
2	MES	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	calcium chloride	natural abundance	5 (±0.25) mM
5	sodium azide	natural abundance	0.02 (±0.001) mM
6	DTT	natural abundance	10 (±0.5) mM

14 3D HBHA(CO)NH

Instrument

Bruker Avance III - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	AHSA1-like protein RHE_CH02687 (1-152) from Rhizobium etli	[U-100% 13C; U-100% 15N]	0.72 (±0.07) mM
2	MES	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	calcium chloride	natural abundance	5 (±0.25) mM
5	sodium azide	natural abundance	0.02 (±0.001) mM
6	DTT	natural abundance	10 (±0.5) mM

15 3D H(CCO)NH

Instrument

Bruker Avance III - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	AHSA1-like protein RHE_CH02687 (1-152) from Rhizobium etli	[U-100% 13C; U-100% 15N]	0.72 (±0.07) mM
2	MES	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	calcium chloride	natural abundance	5 (±0.25) mM
5	sodium azide	natural abundance	0.02 (±0.001) mM
6	DTT	natural abundance	10 (±0.5) mM

16 3D C(CCO)NH

Instrument

Bruker Avance III - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	AHSA1-like protein RHE_CH02687 (1-152) from Rhizobium etli	[U-100% 13C; U-100% 15N]	0.72 (±0.07) mM
2	MES	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	calcium chloride	natural abundance	5 (±0.25) mM
5	sodium azide	natural abundance	0.02 (±0.001) mM
6	DTT	natural abundance	10 (±0.5) mM

17 3D HCCH-COSY

Instrument

Bruker Avance III - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	AHSA1-like protein RHE_CH02687 (1-152) from Rhizobium etli	[U-100% 13C; U-100% 15N]	0.72 (±0.07) mM
2	MES	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	calcium chloride	natural abundance	5 (±0.25) mM
5	sodium azide	natural abundance	0.02 (±0.001) mM
6	DTT	natural abundance	10 (±0.5) mM

18 3D HCCH-TOCSY

Instrument

Bruker Avance III - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	AHSA1-like protein RHE_CH02687 (1-152) from Rhizobium etli	[U-100% 13C; U-100% 15N]	0.72 (±0.07) mM
2	MES	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	calcium chloride	natural abundance	5 (±0.25) mM
5	sodium azide	natural abundance	0.02 (±0.001) mM
6	DTT	natural abundance	10 (±0.5) mM

19 3D CCH-TOCSY

Instrument

Bruker Avance III - 850 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
13	AHSA1-like protein RHE_CH02687 (1-152) from Rhizobium etli	[U-100% 13C; U-100% 15N]	0.72 (±0.07) mM
14	MES	natural abundance	20 (±1.0) mM
15	sodium chloride	natural abundance	100 (±5.0) mM
16	calcium chloride	natural abundance	5 (±0.25) mM
17	sodium azide	natural abundance	0.02 (±0.001) %
18	DTT	natural abundance	10 (±0.5) mM

20 4D CC-NOESY

Instrument

Bruker Avance III - 850 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
13	AHSA1-like protein RHE_CH02687 (1-152) from Rhizobium etli	[U-100% 13C; U-100% 15N]	0.72 (±0.07) mM
14	MES	natural abundance	20 (±1.0) mM
15	sodium chloride	natural abundance	100 (±5.0) mM
16	calcium chloride	natural abundance	5 (±0.25) mM
17	sodium azide	natural abundance	0.02 (±0.001) %
18	DTT	natural abundance	10 (±0.5) mM

21 2D 1H-13C HSQC-aromatic

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	AHSA1-like protein RHE_CH02687 (1-152) from Rhizobium etli	[U-100% 13C; U-100% 15N]	0.72 (±0.07) mM
2	MES	natural abundance	20 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	calcium chloride	natural abundance	5 (±0.25) mM
5	sodium azide	natural abundance	0.02 (±0.001) mM
6	DTT	natural abundance	10 (±0.5) mM

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_17530_2lak.nef
Input source #2: Coordindates	2lak.cif
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
MEKAMPESFVVRREAHLAAPPAAVFALMTDPEKILRWMGTEAEVEPEPGGLYLVNVTGARFARGSFREVVPVHRLAYSFGWDGSEVVPPGSSLVEIDLIE
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MEKAMPESFVVRREAHLAAPPAAVFALMTDPEKILRWMGTEAEVEPEPGGLYLVNVTGARFARGSFREVVPVHRLAYSFGWDGSEVVPPGSSLVEIDLIE

-------110-------120-------130-------140-------150-------160
QGGGTLLRLTHSGLPSAEQCAGHEEGWAHYLGRLTEVAAGRDPGPDPFYGRRLEHHHHHH
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
QGGGTLLRLTHSGLPSAEQCAGHEEGWAHYLGRLTEVAAGRDPGPDPFYGRRLEHHHHHH

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	160	0	0	100.0

Content subtype: combined_17530_2lak.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1642		96.3 (chain: A, length: 160)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	OK	2066 (1)	noe	94.4 (chain: A, length: 160)
2	Distance restraints	CNS/XPLOR_distance_constraints_4	OK	80 (1)	hbond	31.9 (chain: A, length: 160)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	138 (138)	.	55.6 (chain: A, length: 160)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1

Status: Warning

Sequence coverage of experimental data

Entity_assembly_ID: A, Chain length: 160, Sequence coverage: 96.3%

--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
MEKAMPESFVVRREAHLAAPPAAVFALMTDPEKILRWMGTEAEVEPEPGGLYLVNVTGARFARGSFREVVPVHRLAYSFGWDGSEVVPPGSSLVEIDLIE
 |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
.EKAMPESFVVRREAHLAAPPAAVFALMTDPEKILRWMGTEAEVEPEPGGLYLVNVTGARFARGSFREVVPVHRLAYSFGWDGSEVVPPGSSLVEIDLIE

-------110-------120-------130-------140-------150-------160
QGGGTLLRLTHSGLPSAEQCAGHEEGWAHYLGRLTEVAAGRDPGPDPFYGRRLEHHHHHH
|||||||||||||||||||||||||||||||||||||||||||||||||||| |    ||
QGGGTLLRLTHSGLPSAEQCAGHEEGWAHYLGRLTEVAAGRDPGPDPFYGRR.E....HH

Total number of assignments
- ¹H chemical shifts: 849
- ¹³C chemical shifts: 639
- ¹⁵N chemical shifts: 154

Completeness of assignments

Entity_assemble_ID: A

Excluded Atom_ID in statistics

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
16	HIS	ND1	197.9
16	HIS	NE2	177.7
73	HIS	ND1	203.8
73	HIS	NE2	182.2
84	SER	HG	5.19
91	SER	HG	6.06
105	THR	HG1	6.07
111	HIS	ND1	200.4
111	HIS	NE2	176.7
123	HIS	ND1	167.0
123	HIS	NE2	251.3
129	HIS	ND1	209.7
129	HIS	NE2	178.7
135	THR	HG1	4.98

All atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	926	845	91.3
¹³C chemical shifts	714	639	89.5
¹⁵N chemical shifts	165	144	87.3

Backbone atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	325	308	94.8
¹³C chemical shifts	320	288	90.0
¹⁵N chemical shifts	147	134	91.2

Side chain atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	601	537	89.4
¹³C chemical shifts	394	351	89.1
¹⁵N chemical shifts	18	10	55.6

Methyl group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	88	84	95.5
¹³C chemical shifts	88	84	95.5

Aromatic group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	86	61	70.9
¹³C chemical shifts	83	57	68.7
¹⁵N chemical shifts	3	1	33.3

Redox state of CYS
Peptide bond of PRO
Tautomeric state of HIS
Rotameric state of ILE , LEU, and VAL
Histogram of normalized assigned chemical shifts
Random coil index and derived parameters (S² and NMR RMSD)
- Chain_ID: A

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 160, Sequence coverage: 94.4%
- Total number of restraints: 2066
- Weight of restraints: 1.0 (2066)
- Potential type of restraints: square-well-parabolic (2066)
- Range of distance target values: 2.45, 3.92 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map
- Saveframe: CNS/XPLOR_distance_constraints_4
  - Status: OK
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 160, Sequence coverage: 31.9%
  - Total number of restraints: 80
  - Weight of restraints: 1.0 (80)
  - Potential type of restraints: square-well-parabolic (80)
  - Range of distance target values: 2.0, 3.0 (Å)
  - Histogram of distance target values
  - Distance restraints per residue
    - Chain_ID: A
  - Distance restraints on contact map

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_3
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 160, Sequence coverage: 55.6%
- Total number of restraints: 138
- Total number of restraints per polymer type: 138
- Weight of restraints: 1.0 (138)
- Potential type of restraints: square-well-parabolic (138)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords Bacteroides Vulgatus, conjugate transposon protein, NESG, NMR structure

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BMRB: 17530

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. AHSA1-like protein RHE CH02687 (1-152), : 1 : 2 entities Detail

Experiments performed 21 experiments Detail

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NMR combined restraints 5 contents Detail