BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	75.0 % (586 of 781)	67.8 % (276 of 407)	83.0 % (249 of 300)	82.4 % (61 of 74)
Backbone	92.2 % (365 of 396)	90.5 % (124 of 137)	93.3 % (180 of 193)	92.4 % (61 of 66)
Sidechain	62.3 % (278 of 446)	56.3 % (152 of 270)	75.0 % (126 of 168)	0.0 % (0 of 8)
Aromatic	1.5 % (1 of 66)	3.0 % (1 of 33)	0.0 % (0 of 33)
Methyl	82.9 % (58 of 70)	77.1 % (27 of 35)	88.6 % (31 of 35)

1. (Y81F)-EhCaBP1

MAEALFKEID VNGDGAVSYE EVKAFVSKKR AIKNEQLLQL IFKSIDADGN GEIDQNEFAK FYGSIQ

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details (u-15N),(Y81F)-EhCaBP1

#	Name	Isotope labeling	Concentration
1	(Y81F)-EhCaBP1	[U-99% 15N]	0.8 (±0.1) mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details (u-15N/13C), (Y81F)-EhCaBP1

#	Name	Isotope labeling	Concentration
4	(Y81F)-EhCaBP1	[U-99% 13C; U-99% 15N]	0.8 (±0.1) mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details (u-15N/13C), (Y81F)-EhCaBP1

#	Name	Isotope labeling	Type	Concentration
7	(Y81F)-EhCaBP1	[U-99% 13C; U-99% 15N]		0.8 (±0.1) mM
8	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: 1.15 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: 1.15 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: -0.01 ppm, Outliers: 4 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: 2.33 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2M7K, Strand ID: A Detail

Release date

2013-10-16

Citation

Functional manipulation of a calcium-binding protein from Entamoeba histolytica guided by paramagnetic NMR
Chary, K.V., Rout, A.K., Patel, S., Bhattacharya, A.
J. Biol. Chem. (2013), 288, 23473-23487, PubMed 23782698 , DOI 10.1074/jbc.M112.411058 , Abstract

Related entities 1. (Y81F)-EhCaBP1, : 1 : 10 : 456 entities Detail

Experiments performed 8 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details (u-15N),(Y81F)-EhCaBP1

#	Name	Isotope labeling	Concentration
1	(Y81F)-EhCaBP1	[U-99% 15N]	0.8 (±0.1) mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %

2 2D 1H-13C HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details (u-15N/13C), (Y81F)-EhCaBP1

#	Name	Isotope labeling	Type	Concentration
7	(Y81F)-EhCaBP1	[U-99% 13C; U-99% 15N]		0.8 (±0.1) mM
8	D2O	natural abundance		100 %

3 3D HNCO

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details (u-15N/13C), (Y81F)-EhCaBP1

#	Name	Isotope labeling	Concentration
4	(Y81F)-EhCaBP1	[U-99% 13C; U-99% 15N]	0.8 (±0.1) mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

4 3D HNCACB

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details (u-15N/13C), (Y81F)-EhCaBP1

#	Name	Isotope labeling	Concentration
4	(Y81F)-EhCaBP1	[U-99% 13C; U-99% 15N]	0.8 (±0.1) mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

5 3D CBCA(CO)NH

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details (u-15N/13C), (Y81F)-EhCaBP1

#	Name	Isotope labeling	Concentration
4	(Y81F)-EhCaBP1	[U-99% 13C; U-99% 15N]	0.8 (±0.1) mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

6 3D 1H-15N TOCSY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details (u-15N),(Y81F)-EhCaBP1

#	Name	Isotope labeling	Concentration
1	(Y81F)-EhCaBP1	[U-99% 15N]	0.8 (±0.1) mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %

7 3D 1H-13C NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details (u-15N/13C), (Y81F)-EhCaBP1

#	Name	Isotope labeling	Type	Concentration
7	(Y81F)-EhCaBP1	[U-99% 13C; U-99% 15N]		0.8 (±0.1) mM
8	D2O	natural abundance		100 %

8 3D HCCH-TOCSY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details (u-15N/13C), (Y81F)-EhCaBP1

#	Name	Isotope labeling	Concentration
4	(Y81F)-EhCaBP1	[U-99% 13C; U-99% 15N]	0.8 (±0.1) mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_19193_2m7k.nef
Input source #2: Coordindates	2m7k.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------
MAEALFKEIDVNGDGAVSYEEVKAFVSKKRAIKNEQLLQLIFKSIDADGNGEIDQNEFAKFYGSIQ
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MAEALFKEIDVNGDGAVSYEEVKAFVSKKRAIKNEQLLQLIFKSIDADGNGEIDQNEFAKFYGSIQ

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	66	0	0	100.0

Content subtype: combined_19193_2m7k.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	581		93.9 (chain: A, length: 66)
1	Distance restraints	DYANA/DIANA_distance_constraints_4	Warning	476 (1)	noe	97.0 (chain: A, length: 66)
2	Distance restraints	DYANA/DIANA_distance_constraints_5	OK	42 (1)	hbond	53.0 (chain: A, length: 66)
1	Dihedral angle restraints	DYANA/DIANA_dihedral_3	OK	113 (113)	.	95.5 (chain: A, length: 66)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 66, Sequence coverage: 93.9%
- Total number of assignments
  - ¹H chemical shifts: 273
  - ¹³C chemical shifts: 248
  - ¹⁵N chemical shifts: 60
- Completeness of assignments
  - Entity_assemble_ID: A
- 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

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	407	273	67.1
¹³C chemical shifts	300	248	82.7
¹⁵N chemical shifts	75	60	80.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	137	125	91.2
¹³C chemical shifts	132	123	93.2
¹⁵N chemical shifts	66	60	90.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	270	148	54.8
¹³C chemical shifts	168	125	74.4
¹⁵N chemical shifts	9	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	36	25	69.4
¹³C chemical shifts	36	30	83.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	33	0	0.0
¹³C chemical shifts	33	0	0.0

Distance restraints

Saveframe: DYANA/DIANA_distance_constraints_4
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 66, Sequence coverage: 97.0%
- Total number of restraints: 476
- Weight of restraints: 1.0 (476)
- Potential type of restraints: upper-bound-parabolic (476)
- Range of distance target values: 2.3, 6.5 (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: DYANA/DIANA_distance_constraints_5
  - Status: OK
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 66, Sequence coverage: 53.0%
  - Total number of restraints: 42
  - Weight of restraints: 1.0 (42)
  - Potential type of restraints: upper-bound-parabolic (42)
  - Range of distance target values: 2.0, 3.3 (Å)
  - Histogram of distance target values
  - Distance restraints per residue
    - Chain_ID: A
  - Distance restraints on contact map

Dihedral angle restraints

Saveframe: DYANA/DIANA_dihedral_3
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 66, Sequence coverage: 95.5%
- Total number of restraints: 113
- Total number of restraints per polymer type: 113
- Weight of restraints: 1.0 (113)
- Potential type of restraints: square-well-parabolic (113)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords Protein

Search

Query history

Resources

Search for primary databases

Search for subsidiary databases

Display

Hits per page

Statistics

Query Changes will take effect after "OK" button is selected.

Maximum hits

Default conjunction operator

Omni-box

Search filter

Sequence search (BLAST)

E-value

Query sequence coverage

Miscellaneous

The number of previewed publications

Completeness of assigned chemical shift

Sequence chart about top aligned regions

Sequence chart about interacting regions

Hit context with highlight

Link destinations for BMRB, PDB and EMDB

Found 1 Document (0.663 seconds)

BMRB: 19193

Sample #1

Sample #2

Sample #3

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. (Y81F)-EhCaBP1, : 1 : 10 : 456 entities Detail

Experiments performed 8 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

NMR combined restraints 5 contents Detail