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BMRB: 17736

2LF2

Solution NMR structure of the AHSA1-like protein CHU_1110 from Cytophaga hutchinsonii, Northeast Structural Genomics Consortium Target ChR152.

Authors

Yang, Y., Ramelot, T.A., Lee, D., Ciccosanti, C., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T., Kennedy, M.A.

Assembly

AHSA1-like protein CHU 1110

Entity

1. AHSA1-like protein CHU 1110 (polymer, Thiol state: all free), 175 monomers, 20302.86 Da Detail

MRTDLALDFS VNKENKTITI KREFAAVRAI VWEAFTRAEI LDQWWAPKPW KAKTKSMDFK EGGTWLYAMV GPNGEEHWSI CEYAIIKPIE RFTGKDGFTD ASGKLNTEMP RSNWDMRFID KGEITEVQYH ISYDDVAQLE ATIQMGFKEG ITMAMENLDE LLVSGKKLEH HHHHH

Formula weight

20302.86 Da

Source organism

Cytophaga hutchinsonii

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.6 %, Completeness: 91.8 %, Completeness (bb): 95.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	91.8 % (1927 of 2100)	91.5 % (998 of 1091)	91.5 % (752 of 822)	94.7 % (177 of 187)
Backbone	95.3 % (991 of 1040)	94.1 % (335 of 356)	95.7 % (492 of 514)	96.5 % (164 of 170)
Sidechain	89.5 % (1096 of 1224)	90.3 % (664 of 735)	88.6 % (418 of 472)	82.4 % (14 of 17)
Aromatic	65.8 % (150 of 228)	69.3 % (79 of 114)	62.6 % (67 of 107)	57.1 % (4 of 7)
Methyl	98.3 % (169 of 172)	98.8 % (85 of 86)	97.7 % (84 of 86)

1. AHSA1-like protein CHU 1110 from Cytophaga hutchinsonii

MRTDLALDFS VNKENKTITI KREFAAVRAI VWEAFTRAEI LDQWWAPKPW KAKTKSMDFK EGGTWLYAMV GPNGEEHWSI CEYAIIKPIE RFTGKDGFTD ASGKLNTEMP RSNWDMRFID KGEITEVQYH ISYDDVAQLE ATIQMGFKEG ITMAMENLDE LLVSGKKLEH HHHHH

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	AHSA1-like protein CHU_1110 from Cytophaga hutchinsonii	[U-100% 13C; U-100% 15N]	1.05 (±0.11) mM
2	Tris-HCl	natural abundance	10 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	sodium azide	natural abundance	0.02 (±0.001) %
5	DTT	natural abundance	5 (±0.25) mM
6	H20	natural abundance	90 %
7	D20	natural abundance	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
8	AHSA1-like protein CHU_1110 from Cytophaga hutchinsonii	[U-5% 13C; U-100% 15N]	1.07 (±0.11) mM
9	Tris-HCl	natural abundance	10 (±1.0) mM
10	sodium chloride	natural abundance	100 (±5.0) mM
11	DTT	natural abundance	10 (±0.5) mM
12	sodium azide	natural abundance	0.02 (±0.001) %
13	H20	natural abundance	90 %
14	D20	natural abundance	10 %

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
15	AHSA1-like protein CHU_1110 from Cytophaga hutchinsonii	[U-100% 13C; U-100% 15N]	1.05 (±0.11) mM
16	Tris-HCl	natural abundance	10 (±1.0) mM
17	sodium chloride	natural abundance	100 (±5.0) mM
18	sodium azide	natural abundance	0.02 (±0.001) %
19	DTT	natural abundance	10 (±0.5) mM
20	D2O	natural abundance	100 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.2 ppm, Outliers: 5 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.2 ppm, Outliers: 5 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.14 ppm, Outliers: 2 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.02 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2LF2, Strand ID: A Detail

Release date

2011-07-17

Citation

Solution NMR structure of the AHSA1-like protein CHU_1110 from Cytophaga hutchinsonii, Northeast Structural Genomics Consortium Target ChR152
Yang, Y., Ramelot, T.A., Lee, D., Ciccosanti, C., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T., Kennedy, M.A.
Not known

Related entities 1. AHSA1-like protein CHU 1110, : 1 : 5 entities Detail

Experiments performed 20 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance III - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	AHSA1-like protein CHU_1110 from Cytophaga hutchinsonii	[U-100% 13C; U-100% 15N]	1.05 (±0.11) mM
2	Tris-HCl	natural abundance	10 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	sodium azide	natural abundance	0.02 (±0.001) %
5	DTT	natural abundance	5 (±0.25) mM
6	H20	natural abundance	90 %
7	D20	natural abundance	10 %

2 2D 1H-13C HSQC aliphatic

Instrument

Bruker Avance III - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	AHSA1-like protein CHU_1110 from Cytophaga hutchinsonii	[U-100% 13C; U-100% 15N]	1.05 (±0.11) mM
2	Tris-HCl	natural abundance	10 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	sodium azide	natural abundance	0.02 (±0.001) %
5	DTT	natural abundance	5 (±0.25) mM
6	H20	natural abundance	90 %
7	D20	natural abundance	10 %

3 2D 1H-13C HSQC-aromatic

Instrument

Bruker Avance III - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	AHSA1-like protein CHU_1110 from Cytophaga hutchinsonii	[U-100% 13C; U-100% 15N]	1.05 (±0.11) mM
2	Tris-HCl	natural abundance	10 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	sodium azide	natural abundance	0.02 (±0.001) %
5	DTT	natural abundance	5 (±0.25) mM
6	H20	natural abundance	90 %
7	D20	natural abundance	10 %

4 2D 1H-15N HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
15	AHSA1-like protein CHU_1110 from Cytophaga hutchinsonii	[U-100% 13C; U-100% 15N]	1.05 (±0.11) mM
16	Tris-HCl	natural abundance	10 (±1.0) mM
17	sodium chloride	natural abundance	100 (±5.0) mM
18	sodium azide	natural abundance	0.02 (±0.001) %
19	DTT	natural abundance	10 (±0.5) mM
20	D2O	natural abundance	100 %

5 2D 1H-13C HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
15	AHSA1-like protein CHU_1110 from Cytophaga hutchinsonii	[U-100% 13C; U-100% 15N]	1.05 (±0.11) mM
16	Tris-HCl	natural abundance	10 (±1.0) mM
17	sodium chloride	natural abundance	100 (±5.0) mM
18	sodium azide	natural abundance	0.02 (±0.001) %
19	DTT	natural abundance	10 (±0.5) mM
20	D2O	natural abundance	100 %

6 2D 1H-13C HSQC-CT

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
8	AHSA1-like protein CHU_1110 from Cytophaga hutchinsonii	[U-5% 13C; U-100% 15N]	1.07 (±0.11) mM
9	Tris-HCl	natural abundance	10 (±1.0) mM
10	sodium chloride	natural abundance	100 (±5.0) mM
11	DTT	natural abundance	10 (±0.5) mM
12	sodium azide	natural abundance	0.02 (±0.001) %
13	H20	natural abundance	90 %
14	D20	natural abundance	10 %

7 3D 1H-15N NOESY

Instrument

Bruker Avance III - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
8	AHSA1-like protein CHU_1110 from Cytophaga hutchinsonii	[U-5% 13C; U-100% 15N]	1.07 (±0.11) mM
9	Tris-HCl	natural abundance	10 (±1.0) mM
10	sodium chloride	natural abundance	100 (±5.0) mM
11	DTT	natural abundance	10 (±0.5) mM
12	sodium azide	natural abundance	0.02 (±0.001) %
13	H20	natural abundance	90 %
14	D20	natural abundance	10 %

8 3D 1H-13C NOESY_aliph

Instrument

Bruker Avance III - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	AHSA1-like protein CHU_1110 from Cytophaga hutchinsonii	[U-100% 13C; U-100% 15N]	1.05 (±0.11) mM
2	Tris-HCl	natural abundance	10 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	sodium azide	natural abundance	0.02 (±0.001) %
5	DTT	natural abundance	5 (±0.25) mM
6	H20	natural abundance	90 %
7	D20	natural abundance	10 %

9 3D HNCO

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	AHSA1-like protein CHU_1110 from Cytophaga hutchinsonii	[U-100% 13C; U-100% 15N]	1.05 (±0.11) mM
2	Tris-HCl	natural abundance	10 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	sodium azide	natural abundance	0.02 (±0.001) %
5	DTT	natural abundance	5 (±0.25) mM
6	H20	natural abundance	90 %
7	D20	natural abundance	10 %

10 3D HNCACB

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	AHSA1-like protein CHU_1110 from Cytophaga hutchinsonii	[U-100% 13C; U-100% 15N]	1.05 (±0.11) mM
2	Tris-HCl	natural abundance	10 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	sodium azide	natural abundance	0.02 (±0.001) %
5	DTT	natural abundance	5 (±0.25) mM
6	H20	natural abundance	90 %
7	D20	natural abundance	10 %

11 3D CBCA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	AHSA1-like protein CHU_1110 from Cytophaga hutchinsonii	[U-100% 13C; U-100% 15N]	1.05 (±0.11) mM
2	Tris-HCl	natural abundance	10 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	sodium azide	natural abundance	0.02 (±0.001) %
5	DTT	natural abundance	5 (±0.25) mM
6	H20	natural abundance	90 %
7	D20	natural abundance	10 %

12 3D HNCA

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	AHSA1-like protein CHU_1110 from Cytophaga hutchinsonii	[U-100% 13C; U-100% 15N]	1.05 (±0.11) mM
2	Tris-HCl	natural abundance	10 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	sodium azide	natural abundance	0.02 (±0.001) %
5	DTT	natural abundance	5 (±0.25) mM
6	H20	natural abundance	90 %
7	D20	natural abundance	10 %

13 3D HN(CO)CA

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	AHSA1-like protein CHU_1110 from Cytophaga hutchinsonii	[U-100% 13C; U-100% 15N]	1.05 (±0.11) mM
2	Tris-HCl	natural abundance	10 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	sodium azide	natural abundance	0.02 (±0.001) %
5	DTT	natural abundance	5 (±0.25) mM
6	H20	natural abundance	90 %
7	D20	natural abundance	10 %

14 3D HBHA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	AHSA1-like protein CHU_1110 from Cytophaga hutchinsonii	[U-100% 13C; U-100% 15N]	1.05 (±0.11) mM
2	Tris-HCl	natural abundance	10 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	sodium azide	natural abundance	0.02 (±0.001) %
5	DTT	natural abundance	5 (±0.25) mM
6	H20	natural abundance	90 %
7	D20	natural abundance	10 %

15 3D H(CCO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	AHSA1-like protein CHU_1110 from Cytophaga hutchinsonii	[U-100% 13C; U-100% 15N]	1.05 (±0.11) mM
2	Tris-HCl	natural abundance	10 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	sodium azide	natural abundance	0.02 (±0.001) %
5	DTT	natural abundance	5 (±0.25) mM
6	H20	natural abundance	90 %
7	D20	natural abundance	10 %

16 3D C(CCO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	AHSA1-like protein CHU_1110 from Cytophaga hutchinsonii	[U-100% 13C; U-100% 15N]	1.05 (±0.11) mM
2	Tris-HCl	natural abundance	10 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	sodium azide	natural abundance	0.02 (±0.001) %
5	DTT	natural abundance	5 (±0.25) mM
6	H20	natural abundance	90 %
7	D20	natural abundance	10 %

17 3D HCCH-COSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	AHSA1-like protein CHU_1110 from Cytophaga hutchinsonii	[U-100% 13C; U-100% 15N]	1.05 (±0.11) mM
2	Tris-HCl	natural abundance	10 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	sodium azide	natural abundance	0.02 (±0.001) %
5	DTT	natural abundance	5 (±0.25) mM
6	H20	natural abundance	90 %
7	D20	natural abundance	10 %

18 3D HCCH-TOCSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	AHSA1-like protein CHU_1110 from Cytophaga hutchinsonii	[U-100% 13C; U-100% 15N]	1.05 (±0.11) mM
2	Tris-HCl	natural abundance	10 (±1.0) mM
3	sodium chloride	natural abundance	100 (±5.0) mM
4	sodium azide	natural abundance	0.02 (±0.001) %
5	DTT	natural abundance	5 (±0.25) mM
6	H20	natural abundance	90 %
7	D20	natural abundance	10 %

19 3D CCH-TOCSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
15	AHSA1-like protein CHU_1110 from Cytophaga hutchinsonii	[U-100% 13C; U-100% 15N]	1.05 (±0.11) mM
16	Tris-HCl	natural abundance	10 (±1.0) mM
17	sodium chloride	natural abundance	100 (±5.0) mM
18	sodium azide	natural abundance	0.02 (±0.001) %
19	DTT	natural abundance	10 (±0.5) mM
20	D2O	natural abundance	100 %

20 4D CC-NOESY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Concentration
15	AHSA1-like protein CHU_1110 from Cytophaga hutchinsonii	[U-100% 13C; U-100% 15N]	1.05 (±0.11) mM
16	Tris-HCl	natural abundance	10 (±1.0) mM
17	sodium chloride	natural abundance	100 (±5.0) mM
18	sodium azide	natural abundance	0.02 (±0.001) %
19	DTT	natural abundance	10 (±0.5) mM
20	D2O	natural abundance	100 %

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_17736_2lf2.nef
Input source #2: Coordindates	2lf2.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
MRTDLALDFSVNKENKTITIKREFAAVRAIVWEAFTRAEILDQWWAPKPWKAKTKSMDFKEGGTWLYAMVGPNGEEHWSICEYAIIKPIERFTGKDGFTD
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MRTDLALDFSVNKENKTITIKREFAAVRAIVWEAFTRAEILDQWWAPKPWKAKTKSMDFKEGGTWLYAMVGPNGEEHWSICEYAIIKPIERFTGKDGFTD

-------110-------120-------130-------140-------150-------160-------170-----
ASGKLNTEMPRSNWDMRFIDKGEITEVQYHISYDDVAQLEATIQMGFKEGITMAMENLDELLVSGKKLEHHHHHH
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ASGKLNTEMPRSNWDMRFIDKGEITEVQYHISYDDVAQLEATIQMGFKEGITMAMENLDELLVSGKKLEHHHHHH

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	175	0	0	100.0

Content subtype: combined_17736_2lf2.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1952		97.1 (chain: A, length: 175)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	OK	2573 (1)	noe	95.4 (chain: A, length: 175)
2	Distance restraints	CNS/XPLOR_distance_constraints_4	OK	166 (1)	hbond	56.6 (chain: A, length: 175)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	214 (214)	.	74.9 (chain: A, length: 175)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1

Status: Warning

Sequence coverage of experimental data

Entity_assembly_ID: A, Chain length: 175, Sequence coverage: 97.1%

--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
MRTDLALDFSVNKENKTITIKREFAAVRAIVWEAFTRAEILDQWWAPKPWKAKTKSMDFKEGGTWLYAMVGPNGEEHWSICEYAIIKPIERFTGKDGFTD
 |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
.RTDLALDFSVNKENKTITIKREFAAVRAIVWEAFTRAEILDQWWAPKPWKAKTKSMDFKEGGTWLYAMVGPNGEEHWSICEYAIIKPIERFTGKDGFTD
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100

-------110-------120-------130-------140-------150-------160-------170-----
ASGKLNTEMPRSNWDMRFIDKGEITEVQYHISYDDVAQLEATIQMGFKEGITMAMENLDELLVSGKKLEHHHHHH
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||    
ASGKLNTEMPRSNWDMRFIDKGEITEVQYHISYDDVAQLEATIQMGFKEGITMAMENLDELLVSGKKLEHH    
-------110-------120-------130-------140-------150-------160-------170-

Total number of assignments
- ¹H chemical shifts: 1013
- ¹³C chemical shifts: 757
- ¹⁵N chemical shifts: 182

Completeness of assignments

Entity_assemble_ID: A

Excluded Atom_ID in statistics

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
12	ASN	CG	177.3
15	ASN	CG	176.1
36	THR	HG1	6.18
43	GLN	CD	179.9
73	ASN	CG	178.2
106	ASN	CG	176.8
112	SER	HG	6.44
113	ASN	CG	177.0
125	THR	HG1	6.18
128	GLN	CD	179.6
138	GLN	CD	179.2
144	GLN	CD	180.0
157	ASN	CG	176.1

All atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	1091	1010	92.6
¹³C chemical shifts	822	747	90.9
¹⁵N chemical shifts	194	182	93.8

Backbone atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	356	344	96.6
¹³C chemical shifts	350	334	95.4
¹⁵N chemical shifts	170	164	96.5

Side chain atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	735	666	90.6
¹³C chemical shifts	472	413	87.5
¹⁵N chemical shifts	24	18	75.0

Methyl group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	94	88	93.6
¹³C chemical shifts	94	87	92.6

Aromatic group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	114	73	64.0
¹³C chemical shifts	107	63	58.9
¹⁵N chemical shifts	7	4	57.1

Redox state of CYS
Peptide bond of PRO
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: 175, Sequence coverage: 95.4%
- Total number of restraints: 2569
- Weight of restraints: 1.0 (2569)
- Potential type of restraints: square-well-parabolic (2569)
- Range of distance target values: 2.3, 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: 175, Sequence coverage: 56.6%
  - Total number of restraints: 166
  - Weight of restraints: 1.0 (166)
  - Potential type of restraints: square-well-parabolic (166)
  - 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: 175, Sequence coverage: 74.9%
- Total number of restraints: 214
- Total number of restraints per polymer type: 214
- Weight of restraints: 1.0 (214)
- Potential type of restraints: square-well-parabolic (214)
- 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: 17736

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. AHSA1-like protein CHU 1110, : 1 : 5 entities Detail

Experiments performed 20 experiments Detail

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NMR combined restraints 5 contents Detail