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BMRB: 18989

2M47

Solution NMR structure of the Polyketide_cyc-like protein Cgl2372 from Corynebacterium glutamicum, Northeast Structural Genomics Consortium Target CgR160.

Authors

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

Assembly

CgR160

Entity

1. CgR160 (polymer, Thiol state: all free), 163 monomers, 18784.83 Da Detail

MPKSLTFEDS INIAAPINQV YALVSDITRT GEWSPVCEKC WWDEDEGPVV GAHFTGRNVT PERTWETRSE VIVAEPNRCF GWSVTDGNVK WIYSMEPLEE GTVLTESWEF TPKGQRFFHD KFGDKSIEEI EKRRLAAITG IPETLVAIQR ILEVELEHHH HHH

Formula weight

18784.83 Da

Source organism

Corynebacterium glutamicum

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.5 %, Completeness: 87.5 %, Completeness (bb): 94.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	87.5 % (1679 of 1918)	87.7 % (870 of 992)	86.0 % (651 of 757)	93.5 % (158 of 169)
Backbone	94.1 % (903 of 960)	94.5 % (309 of 327)	93.5 % (448 of 479)	94.8 % (146 of 154)
Sidechain	83.1 % (923 of 1111)	84.4 % (561 of 665)	81.2 % (350 of 431)	80.0 % (12 of 15)
Aromatic	43.1 % (87 of 202)	47.5 % (48 of 101)	34.0 % (32 of 94)	100.0 % (7 of 7)
Methyl	98.3 % (171 of 174)	98.9 % (86 of 87)	97.7 % (85 of 87)

1. CgR160

MPKSLTFEDS INIAAPINQV YALVSDITRT GEWSPVCEKC WWDEDEGPVV GAHFTGRNVT PERTWETRSE VIVAEPNRCF GWSVTDGNVK WIYSMEPLEE GTVLTESWEF TPKGQRFFHD KFGDKSIEEI EKRRLAAITG IPETLVAIQR ILEVELEHHH HHH

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.76 mM CgR160.003, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	CgR160.003	[U-100% 13C; U-100% 15N]	0.76 mM
2	NaN3	natural abundance	0.02 %
3	DTT	natural abundance	10 mM
4	CaCL2	natural abundance	5 mM
5	NaCL	natural abundance	100 mM
6	Proteinase Inhibitors	natural abundance	1 na
7	MES pH 6.5	natural abundance	20 mM
8	D2O	natural abundance	10 %
9	DSS	natural abundance	50 uM
10	H2O	natural abundance	90 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.83 mM CgR160.005, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
11	CgR160.0035	[U-5% 13C; U-100% 15N]	0.83 mM
12	NaN3	natural abundance	0.02 %
13	DTT	natural abundance	10 mM
14	CaCL2	natural abundance	5 mM
15	NaCL	natural abundance	100 mM
16	Proteinase Inhibitors	natural abundance	1 na
17	MES pH 6.5	natural abundance	20 mM
18	D2O	natural abundance	10 %
19	DSS	natural abundance	50 uM
20	H2O	natural abundance	90 %

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: -0.29 ppm, Outliers: 1 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: -0.29 ppm, Outliers: 1 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: -0.12 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: 0.27 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2M47, Strand ID: A Detail

Release date

2013-02-10

Related entities 1. CgR160, : 1 : 1 entities Detail

Experiments performed 19 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 K, pH 6.5, Details 0.76 mM CgR160.003, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	CgR160.003	[U-100% 13C; U-100% 15N]	0.76 mM
2	NaN3	natural abundance	0.02 %
3	DTT	natural abundance	10 mM
4	CaCL2	natural abundance	5 mM
5	NaCL	natural abundance	100 mM
6	Proteinase Inhibitors	natural abundance	1 na
7	MES pH 6.5	natural abundance	20 mM
8	D2O	natural abundance	10 %
9	DSS	natural abundance	50 uM
10	H2O	natural abundance	90 %

2 2D 1H-13C HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.76 mM CgR160.003, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	CgR160.003	[U-100% 13C; U-100% 15N]	0.76 mM
2	NaN3	natural abundance	0.02 %
3	DTT	natural abundance	10 mM
4	CaCL2	natural abundance	5 mM
5	NaCL	natural abundance	100 mM
6	Proteinase Inhibitors	natural abundance	1 na
7	MES pH 6.5	natural abundance	20 mM
8	D2O	natural abundance	10 %
9	DSS	natural abundance	50 uM
10	H2O	natural abundance	90 %

3 3D HNCO

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.76 mM CgR160.003, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	CgR160.003	[U-100% 13C; U-100% 15N]	0.76 mM
2	NaN3	natural abundance	0.02 %
3	DTT	natural abundance	10 mM
4	CaCL2	natural abundance	5 mM
5	NaCL	natural abundance	100 mM
6	Proteinase Inhibitors	natural abundance	1 na
7	MES pH 6.5	natural abundance	20 mM
8	D2O	natural abundance	10 %
9	DSS	natural abundance	50 uM
10	H2O	natural abundance	90 %

4 3D CBCA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.76 mM CgR160.003, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	CgR160.003	[U-100% 13C; U-100% 15N]	0.76 mM
2	NaN3	natural abundance	0.02 %
3	DTT	natural abundance	10 mM
4	CaCL2	natural abundance	5 mM
5	NaCL	natural abundance	100 mM
6	Proteinase Inhibitors	natural abundance	1 na
7	MES pH 6.5	natural abundance	20 mM
8	D2O	natural abundance	10 %
9	DSS	natural abundance	50 uM
10	H2O	natural abundance	90 %

5 3D HNCACB

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.76 mM CgR160.003, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	CgR160.003	[U-100% 13C; U-100% 15N]	0.76 mM
2	NaN3	natural abundance	0.02 %
3	DTT	natural abundance	10 mM
4	CaCL2	natural abundance	5 mM
5	NaCL	natural abundance	100 mM
6	Proteinase Inhibitors	natural abundance	1 na
7	MES pH 6.5	natural abundance	20 mM
8	D2O	natural abundance	10 %
9	DSS	natural abundance	50 uM
10	H2O	natural abundance	90 %

6 3D 1H-13C arom NOESY

Instrument

Bruker Avance - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.76 mM CgR160.003, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	CgR160.003	[U-100% 13C; U-100% 15N]	0.76 mM
2	NaN3	natural abundance	0.02 %
3	DTT	natural abundance	10 mM
4	CaCL2	natural abundance	5 mM
5	NaCL	natural abundance	100 mM
6	Proteinase Inhibitors	natural abundance	1 na
7	MES pH 6.5	natural abundance	20 mM
8	D2O	natural abundance	10 %
9	DSS	natural abundance	50 uM
10	H2O	natural abundance	90 %

7 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.76 mM CgR160.003, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	CgR160.003	[U-100% 13C; U-100% 15N]	0.76 mM
2	NaN3	natural abundance	0.02 %
3	DTT	natural abundance	10 mM
4	CaCL2	natural abundance	5 mM
5	NaCL	natural abundance	100 mM
6	Proteinase Inhibitors	natural abundance	1 na
7	MES pH 6.5	natural abundance	20 mM
8	D2O	natural abundance	10 %
9	DSS	natural abundance	50 uM
10	H2O	natural abundance	90 %

8 3D HNCA

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.76 mM CgR160.003, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	CgR160.003	[U-100% 13C; U-100% 15N]	0.76 mM
2	NaN3	natural abundance	0.02 %
3	DTT	natural abundance	10 mM
4	CaCL2	natural abundance	5 mM
5	NaCL	natural abundance	100 mM
6	Proteinase Inhibitors	natural abundance	1 na
7	MES pH 6.5	natural abundance	20 mM
8	D2O	natural abundance	10 %
9	DSS	natural abundance	50 uM
10	H2O	natural abundance	90 %

9 3D HN(CO)CA

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.76 mM CgR160.003, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	CgR160.003	[U-100% 13C; U-100% 15N]	0.76 mM
2	NaN3	natural abundance	0.02 %
3	DTT	natural abundance	10 mM
4	CaCL2	natural abundance	5 mM
5	NaCL	natural abundance	100 mM
6	Proteinase Inhibitors	natural abundance	1 na
7	MES pH 6.5	natural abundance	20 mM
8	D2O	natural abundance	10 %
9	DSS	natural abundance	50 uM
10	H2O	natural abundance	90 %

10 3D HCCH-TOCSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.76 mM CgR160.003, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	CgR160.003	[U-100% 13C; U-100% 15N]	0.76 mM
2	NaN3	natural abundance	0.02 %
3	DTT	natural abundance	10 mM
4	CaCL2	natural abundance	5 mM
5	NaCL	natural abundance	100 mM
6	Proteinase Inhibitors	natural abundance	1 na
7	MES pH 6.5	natural abundance	20 mM
8	D2O	natural abundance	10 %
9	DSS	natural abundance	50 uM
10	H2O	natural abundance	90 %

11 2D 1H-15N HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.83 mM CgR160.005, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
11	CgR160.0035	[U-5% 13C; U-100% 15N]	0.83 mM
12	NaN3	natural abundance	0.02 %
13	DTT	natural abundance	10 mM
14	CaCL2	natural abundance	5 mM
15	NaCL	natural abundance	100 mM
16	Proteinase Inhibitors	natural abundance	1 na
17	MES pH 6.5	natural abundance	20 mM
18	D2O	natural abundance	10 %
19	DSS	natural abundance	50 uM
20	H2O	natural abundance	90 %

12 2D 1H-13C HSQC aliphatic

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.83 mM CgR160.005, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
11	CgR160.0035	[U-5% 13C; U-100% 15N]	0.83 mM
12	NaN3	natural abundance	0.02 %
13	DTT	natural abundance	10 mM
14	CaCL2	natural abundance	5 mM
15	NaCL	natural abundance	100 mM
16	Proteinase Inhibitors	natural abundance	1 na
17	MES pH 6.5	natural abundance	20 mM
18	D2O	natural abundance	10 %
19	DSS	natural abundance	50 uM
20	H2O	natural abundance	90 %

13 3D 1H-15N NOESY

Instrument

Bruker Avance - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.76 mM CgR160.003, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	CgR160.003	[U-100% 13C; U-100% 15N]	0.76 mM
2	NaN3	natural abundance	0.02 %
3	DTT	natural abundance	10 mM
4	CaCL2	natural abundance	5 mM
5	NaCL	natural abundance	100 mM
6	Proteinase Inhibitors	natural abundance	1 na
7	MES pH 6.5	natural abundance	20 mM
8	D2O	natural abundance	10 %
9	DSS	natural abundance	50 uM
10	H2O	natural abundance	90 %

14 4D CC-NOESY

Instrument

Bruker Avance - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.76 mM CgR160.003, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	CgR160.003	[U-100% 13C; U-100% 15N]	0.76 mM
2	NaN3	natural abundance	0.02 %
3	DTT	natural abundance	10 mM
4	CaCL2	natural abundance	5 mM
5	NaCL	natural abundance	100 mM
6	Proteinase Inhibitors	natural abundance	1 na
7	MES pH 6.5	natural abundance	20 mM
8	D2O	natural abundance	10 %
9	DSS	natural abundance	50 uM
10	H2O	natural abundance	90 %

15 3D (H)CCH-TOCSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.76 mM CgR160.003, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	CgR160.003	[U-100% 13C; U-100% 15N]	0.76 mM
2	NaN3	natural abundance	0.02 %
3	DTT	natural abundance	10 mM
4	CaCL2	natural abundance	5 mM
5	NaCL	natural abundance	100 mM
6	Proteinase Inhibitors	natural abundance	1 na
7	MES pH 6.5	natural abundance	20 mM
8	D2O	natural abundance	10 %
9	DSS	natural abundance	50 uM
10	H2O	natural abundance	90 %

16 2D 1H-15N HSQC-Histidine

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.76 mM CgR160.003, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	CgR160.003	[U-100% 13C; U-100% 15N]	0.76 mM
2	NaN3	natural abundance	0.02 %
3	DTT	natural abundance	10 mM
4	CaCL2	natural abundance	5 mM
5	NaCL	natural abundance	100 mM
6	Proteinase Inhibitors	natural abundance	1 na
7	MES pH 6.5	natural abundance	20 mM
8	D2O	natural abundance	10 %
9	DSS	natural abundance	50 uM
10	H2O	natural abundance	90 %

17 2D 1H-15N HSQC NH2 only

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.76 mM CgR160.003, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	CgR160.003	[U-100% 13C; U-100% 15N]	0.76 mM
2	NaN3	natural abundance	0.02 %
3	DTT	natural abundance	10 mM
4	CaCL2	natural abundance	5 mM
5	NaCL	natural abundance	100 mM
6	Proteinase Inhibitors	natural abundance	1 na
7	MES pH 6.5	natural abundance	20 mM
8	D2O	natural abundance	10 %
9	DSS	natural abundance	50 uM
10	H2O	natural abundance	90 %

18 3D HBHA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.76 mM CgR160.003, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	CgR160.003	[U-100% 13C; U-100% 15N]	0.76 mM
2	NaN3	natural abundance	0.02 %
3	DTT	natural abundance	10 mM
4	CaCL2	natural abundance	5 mM
5	NaCL	natural abundance	100 mM
6	Proteinase Inhibitors	natural abundance	1 na
7	MES pH 6.5	natural abundance	20 mM
8	D2O	natural abundance	10 %
9	DSS	natural abundance	50 uM
10	H2O	natural abundance	90 %

19 3D HCCH-COSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.76 mM CgR160.003, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	CgR160.003	[U-100% 13C; U-100% 15N]	0.76 mM
2	NaN3	natural abundance	0.02 %
3	DTT	natural abundance	10 mM
4	CaCL2	natural abundance	5 mM
5	NaCL	natural abundance	100 mM
6	Proteinase Inhibitors	natural abundance	1 na
7	MES pH 6.5	natural abundance	20 mM
8	D2O	natural abundance	10 %
9	DSS	natural abundance	50 uM
10	H2O	natural abundance	90 %

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_18989_2m47.nef
Input source #2: Coordindates	2m47.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
MPKSLTFEDSINIAAPINQVYALVSDITRTGEWSPVCEKCWWDEDEGPVVGAHFTGRNVTPERTWETRSEVIVAEPNRCFGWSVTDGNVKWIYSMEPLEE
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MPKSLTFEDSINIAAPINQVYALVSDITRTGEWSPVCEKCWWDEDEGPVVGAHFTGRNVTPERTWETRSEVIVAEPNRCFGWSVTDGNVKWIYSMEPLEE

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

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	163	0	0	100.0

Content subtype: combined_18989_2m47.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1670		96.3 (chain: A, length: 163)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	OK	2058 (1)	noe	94.5 (chain: A, length: 163)
2	Distance restraints	CNS/XPLOR_distance_constraints_4	OK	108 (1)	hbond	45.4 (chain: A, length: 163)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	214 (214)	.	79.8 (chain: A, length: 163)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 163, Sequence coverage: 96.3%
- Total number of assignments
  - ¹H chemical shifts: 871
  - ¹³C chemical shifts: 643
  - ¹⁵N chemical shifts: 156
- Completeness of assignments
  - Entity_assemble_ID: A
- 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

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
25	SER	HG	3.91
53	HIS	ND1	183.2
53	HIS	NE2	176.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	992	870	87.7
¹³C chemical shifts	757	643	84.9
¹⁵N chemical shifts	178	154	86.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	327	313	95.7
¹³C chemical shifts	326	298	91.4
¹⁵N chemical shifts	154	142	92.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	665	557	83.8
¹³C chemical shifts	431	345	80.0
¹⁵N chemical shifts	24	12	50.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	89	86	96.6
¹³C chemical shifts	89	85	95.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	101	48	47.5
¹³C chemical shifts	94	32	34.0
¹⁵N chemical shifts	7	7	100.0

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 163, Sequence coverage: 94.5%
- Total number of restraints: 2056
- Weight of restraints: 1.0 (2056)
- Potential type of restraints: square-well-parabolic (2056)
- Range of distance target values: 2.25, 3.9 (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: 163, Sequence coverage: 45.4%
  - Total number of restraints: 108
  - Weight of restraints: 1.0 (108)
  - Potential type of restraints: square-well-parabolic (108)
  - Range of distance target values: 2.05, 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: 163, Sequence coverage: 79.8%
- 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 NESG, NMR, Polyketide_cyc-like protein Cgl2372, solution, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG), Protein NMR, Protein Structure Initiative, PSI-Biology, Structural Genomics, Target CgR160

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Found 1 Document (0.954 seconds)

BMRB: 18989

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. CgR160, : 1 : 1 entities Detail

Experiments performed 19 experiments Detail

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NMR combined restraints 5 contents Detail