BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	78.8 % (1013 of 1286)	86.6 % (575 of 664)	64.4 % (328 of 509)	97.3 % (110 of 113)
Backbone	85.5 % (561 of 656)	99.1 % (219 of 221)	71.6 % (234 of 327)	100.0 % (108 of 108)
Sidechain	75.8 % (559 of 737)	80.4 % (356 of 443)	69.6 % (201 of 289)	40.0 % (2 of 5)
Aromatic	34.0 % (34 of 100)	68.0 % (34 of 50)	0.0 % (0 of 50)
Methyl	98.3 % (114 of 116)	100.0 % (58 of 58)	96.6 % (56 of 58)

1. ta0956

MTLCAMYNIS MAGSHPTTIC VVMDRFLESF SELYDIIDEN DTDVMMDFIS RFARTDEIMP EDKTVGFVVV NADKKLMSVS FSDIDENMKK VIKATAEKFK NKGFKVETDM

Show sample condition

Sample #1

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

#	Name	Isotope labeling	Concentration
1	ta0956	[U-98% 13C; U-98% 15N]	1.5 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	DTT	natural abundance	5 mM
5	sodium azide	natural abundance	0.01 w/v
6	DSS	natural abundance	0.01 w/v

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
7	ta0956	[U-98% 13C; U-98% 15N]	1.5 mM
8	sodium phosphate	natural abundance	20 mM
9	sodium chloride	natural abundance	100 mM
10	DTT	natural abundance	5 mM
11	sodium azide	natural abundance	0.01 w/v
12	DSS	natural abundance	0.01 w/v

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: 0.24 ppm, Outliers: 1 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: 0.24 ppm, Outliers: 1 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: -0.06 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2007-10-15

Citation

Solution structure of the hypothetical novel-fold protein TA0956 from Thermoplasma acidophilum
Koo, B., Jung, J., Jung, H., Nam, H., Kim, Y., Yee, A., Lee, W.
Proteins (2007), 69, 444-447, PubMed 17634985 , DOI 10.1002/prot.21490 , Abstract

Related entities 1. Chain 1, : 1 : 1 entities Detail

Experiments performed 9 experiments Detail

1 3D 1H-15N NOESY

Instrument

Bruker DRX - 500 MHz

Sample

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

#	Name	Isotope labeling	Concentration
1	ta0956	[U-98% 13C; U-98% 15N]	1.5 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	DTT	natural abundance	5 mM
5	sodium azide	natural abundance	0.01 w/v
6	DSS	natural abundance	0.01 w/v

2 2D 1H-15N HSQC

Instrument

Bruker DRX - 500 MHz

Sample

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

#	Name	Isotope labeling	Concentration
1	ta0956	[U-98% 13C; U-98% 15N]	1.5 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	DTT	natural abundance	5 mM
5	sodium azide	natural abundance	0.01 w/v
6	DSS	natural abundance	0.01 w/v

3 2D 1H-13C HSQC

Instrument

Bruker DRX - 500 MHz

Sample

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

#	Name	Isotope labeling	Concentration
7	ta0956	[U-98% 13C; U-98% 15N]	1.5 mM
8	sodium phosphate	natural abundance	20 mM
9	sodium chloride	natural abundance	100 mM
10	DTT	natural abundance	5 mM
11	sodium azide	natural abundance	0.01 w/v
12	DSS	natural abundance	0.01 w/v

4 3D CBCA(CO)NH

Instrument

Bruker DRX - 500 MHz

Sample

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

#	Name	Isotope labeling	Concentration
1	ta0956	[U-98% 13C; U-98% 15N]	1.5 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	DTT	natural abundance	5 mM
5	sodium azide	natural abundance	0.01 w/v
6	DSS	natural abundance	0.01 w/v

5 3D HNCACB

Instrument

Bruker DRX - 500 MHz

Sample

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

#	Name	Isotope labeling	Concentration
1	ta0956	[U-98% 13C; U-98% 15N]	1.5 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	DTT	natural abundance	5 mM
5	sodium azide	natural abundance	0.01 w/v
6	DSS	natural abundance	0.01 w/v

6 3D HNCO

Instrument

Bruker DRX - 500 MHz

Sample

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

#	Name	Isotope labeling	Concentration
1	ta0956	[U-98% 13C; U-98% 15N]	1.5 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	DTT	natural abundance	5 mM
5	sodium azide	natural abundance	0.01 w/v
6	DSS	natural abundance	0.01 w/v

7 3D HNCA

Instrument

Bruker DRX - 500 MHz

Sample

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

#	Name	Isotope labeling	Concentration
1	ta0956	[U-98% 13C; U-98% 15N]	1.5 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	DTT	natural abundance	5 mM
5	sodium azide	natural abundance	0.01 w/v
6	DSS	natural abundance	0.01 w/v

8 3D HCCH-TOCSY

Instrument

Bruker DRX - 500 MHz

Sample

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

#	Name	Isotope labeling	Concentration
7	ta0956	[U-98% 13C; U-98% 15N]	1.5 mM
8	sodium phosphate	natural abundance	20 mM
9	sodium chloride	natural abundance	100 mM
10	DTT	natural abundance	5 mM
11	sodium azide	natural abundance	0.01 w/v
12	DSS	natural abundance	0.01 w/v

9 3D 1H-13C NOESY

Instrument

Bruker DRX - 500 MHz

Sample

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

#	Name	Isotope labeling	Concentration
7	ta0956	[U-98% 13C; U-98% 15N]	1.5 mM
8	sodium phosphate	natural abundance	20 mM
9	sodium chloride	natural abundance	100 mM
10	DTT	natural abundance	5 mM
11	sodium azide	natural abundance	0.01 w/v
12	DSS	natural abundance	0.01 w/v

NMR combined restraints 7 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_15039_2jmk.nef
Input source #2: Coordindates	2jmk.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

0--------10--------20--------30--------40--------50--------60--------70--------80--------90-------10
GMTLCAMYNISMAGSHPTTICVVMDRFLESFSELYDIIDENDTDVMMDFISRFARTDEIMPEDKTVGFVVVNADKKLMSVSFSDIDENMKKVIKATAEKF
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GMTLCAMYNISMAGSHPTTICVVMDRFLESFSELYDIIDENDTDVMMDFISRFARTDEIMPEDKTVGFVVVNADKKLMSVSFSDIDENMKKVIKATAEKF
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100

0-------110
KNKGFKVETDM
|||||||||||
KNKGFKVETDM
-------110-

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	111	0	0	100.0

Content subtype: combined_15039_2jmk.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	980		99.1 (chain: A, length: 111)
1	Distance restraints	DYANA/DIANA_distance_constraints_2	Warning	39 (1)	hbond	28.8 (chain: A, length: 111)
2	Distance restraints	DYANA/DIANA_distance_constraints_3	Warning	39 (1)	hbond	28.8 (chain: A, length: 111)
3	Distance restraints	DYANA/DIANA_distance_constraints_5	OK	55 (1)	hbond	33.3 (chain: A, length: 111)
4	Distance restraints	DYANA/DIANA_distance_constraints_4	OK	57 (1)	hbond	35.1 (chain: A, length: 111)
1	Dihedral angle restraints	DYANA/DIANA_dihedral_7	OK	153 (153)	.	87.4 (chain: A, length: 111)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 111, Sequence coverage: 99.1%
- Total number of assignments
  - ¹H chemical shifts: 567
  - ¹³C chemical shifts: 303
  - ¹⁵N chemical shifts: 110
- Completeness of assignments
  - Entity_assemble_ID: A
- 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

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	667	567	85.0
¹³C chemical shifts	511	303	59.3
¹⁵N chemical shifts	117	110	94.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	224	219	97.8
¹³C chemical shifts	222	110	49.5
¹⁵N chemical shifts	109	108	99.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	443	348	78.6
¹³C chemical shifts	289	193	66.8
¹⁵N chemical shifts	8	2	25.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	68	64	94.1
¹³C chemical shifts	68	61	89.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	50	34	68.0
¹³C chemical shifts	50	0	0.0

Distance restraints

Saveframe: DYANA/DIANA_distance_constraints_2
- Status: Warning
- Experiment type: hbond
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 111, Sequence coverage: 28.8%
- Total number of restraints: 39
- Weight of restraints: 1.0 (39)
- Potential type of restraints: lower-bound-parabolic (39)
- Range of distance target values: 1.8, 2.7 (Å)
- Histogram of distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map
- Saveframe: DYANA/DIANA_distance_constraints_3
  - Status: Warning
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 111, Sequence coverage: 28.8%
  - Total number of restraints: 39
  - Weight of restraints: 1.0 (39)
  - Potential type of restraints: upper-bound-parabolic (39)
  - 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
  - Saveframe: DYANA/DIANA_distance_constraints_5
    - Status: OK
    - Experiment type: hbond
    - Sequence coverage of experimental data
      - Entity_assembly_ID: A, Chain length: 111, Sequence coverage: 33.3%
    - Total number of restraints: 55
    - Weight of restraints: 1.0 (55)
    - Potential type of restraints: upper-bound-parabolic (55)
    - 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
    - Saveframe: DYANA/DIANA_distance_constraints_4
      - Status: OK
      - Experiment type: hbond
      - Sequence coverage of experimental data
        Entity_assembly_ID: A, Chain length: 111, Sequence coverage: 35.1%
      - Total number of restraints: 57
        Total hydrogen bond restraints: 57
        O...H-x: 6
        O...h-N: 6
        Long range: 45
        O...h-N: 23
        O...H-x: 22
      - Weight of restraints: 1.0 (57)
        Total hydrogen bond restraints: 1.0 (57)
        O...H-x: 1.0 (6)
        O...h-N: 1.0 (6)
        Long range: 1.0 (45)
        O...h-N: 1.0 (23)
        O...H-x: 1.0 (22)
      - Potential type of restraints: lower-bound-parabolic (57)
        Total hydrogen bond restraints: lower-bound-parabolic (57)
        O...H-x: lower-bound-parabolic (6)
        O...h-N: lower-bound-parabolic (6)
        Long range: lower-bound-parabolic (45)
        O...h-N: lower-bound-parabolic (23)
        O...H-x: lower-bound-parabolic (22)
      - Range of distance target values: 1.8, 2.7 (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_7
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 111, Sequence coverage: 87.4%
- Total number of restraints: 153
- Total number of restraints per polymer type: 153
- Weight of restraints: 1.0 (153)
- Potential type of restraints: square-well-parabolic (153)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords Hypothetical Protein

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Found 1 Document (0.526 seconds)

BMRB: 15039

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Chain 1, : 1 : 1 entities Detail

Experiments performed 9 experiments Detail

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NMR combined restraints 7 contents Detail