BMRBj - BMREntryMaster

Found 1 Document (0.738 seconds)

BMRB: 15088

2JN7

Northeast Structural Genomics Consortium Target ER411

Authors

Tian, F., Prestegard, J., Zhao, L., Jiang, M., Cunningham, K., Ma, L., Xiao, R., Liu, J., Baran, M., Swapna, G., Acton, T.B., Rost, B., Monteline, G.T.

Assembly

ER411

Entity

1. ER411 (polymer, Thiol state: not available), 113 monomers, 12802.24 Da Detail

MSNTTWGLQR DITPRLGARL VQEGNQLHYL ADRASITGKF SDAECPKLDV VFPHFISQIE SMLTTGELNP RHAQCVTLYH NGFTCEADTL GSCGYVYIAV YPTQRLEHHH HHH

Formula weight

12802.24 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, RDCs

Chem. Shift Complete

Sequence coverage: 93.8 %, Completeness: 71.5 %, Completeness (bb): 78.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	71.5 % (924 of 1293)	77.3 % (513 of 664)	60.8 % (310 of 510)	84.9 % (101 of 119)
Backbone	78.1 % (522 of 668)	90.4 % (207 of 229)	65.3 % (216 of 331)	91.7 % (99 of 108)
Sidechain	67.1 % (490 of 730)	69.2 % (301 of 435)	65.8 % (187 of 284)	18.2 % (2 of 11)
Aromatic	51.5 % (68 of 132)	53.0 % (35 of 66)	49.2 % (32 of 65)	100.0 % (1 of 1)
Methyl	85.2 % (104 of 122)	90.2 % (55 of 61)	80.3 % (49 of 61)

1. ER411

MSNTTWGLQR DITPRLGARL VQEGNQLHYL ADRASITGKF SDAECPKLDV VFPHFISQIE SMLTTGELNP RHAQCVTLYH NGFTCEADTL GSCGYVYIAV YPTQRLEHHH HHH

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Temperature 298 K, pH 6.5, Details 13C,15N ER411, 1.1 mM

#	Name	Isotope labeling	Concentration
1	ER411	[U-100% 13C; U-100% 15N]	1.1 mM
2	sodium azide	natural abundance	0.02 %
3	TRIS	natural abundance	10 mM
4	sodium chloride	natural abundance	100 mM
5	H2O		90 %
6	D2O		10 %

Sample #2

Solvent system 90% H2O/10% D2O, Temperature 298 K, pH 6.5, Details 13C,15N ER411,0.5 mM in phage (5mg/ml)

#	Name	Isotope labeling	Concentration
7	ER411	[U-100% 13C; U-100% 15N]	0.5 mM
8	sodium azide	natural abundance	0.02 %
9	TRIS	natural abundance	10 mM
10	sodium chloride	natural abundance	250 mM
11	Pf1 phage	natural abundance	5 mg
12	H2O		90 %
13	D2O		10 %

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: 0.25 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: 0.25 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: -0.01 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2JN7, Strand ID: A Detail

RDC

249 RDC values in 1 lists
Field strength (¹H) 600 MHz, Temperature 298 K, pH 6.5 Detail

Release date

2007-02-22

Citation

NMR solution structure of E.Coli hypothetical protein YFJZ
Tian, F., Prestegard, J., Monteline, G.T.

Related entities 1. ER411, : 1 : 3 : 8 entities Detail

Interaction partners 1. ER411, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 298 K, pH 6.5, Details 13C,15N ER411, 1.1 mM

#	Name	Isotope labeling	Concentration
1	ER411	[U-100% 13C; U-100% 15N]	1.1 mM
2	sodium azide	natural abundance	0.02 %
3	TRIS	natural abundance	10 mM
4	sodium chloride	natural abundance	100 mM
5	H2O		90 %
6	D2O		10 %

2 2D 1H-13C HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 298 K, pH 6.5, Details 13C,15N ER411, 1.1 mM

#	Name	Isotope labeling	Concentration
1	ER411	[U-100% 13C; U-100% 15N]	1.1 mM
2	sodium azide	natural abundance	0.02 %
3	TRIS	natural abundance	10 mM
4	sodium chloride	natural abundance	100 mM
5	H2O		90 %
6	D2O		10 %

3 3D CBCA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 298 K, pH 6.5, Details 13C,15N ER411, 1.1 mM

#	Name	Isotope labeling	Concentration
1	ER411	[U-100% 13C; U-100% 15N]	1.1 mM
2	sodium azide	natural abundance	0.02 %
3	TRIS	natural abundance	10 mM
4	sodium chloride	natural abundance	100 mM
5	H2O		90 %
6	D2O		10 %

4 3D HNCACB

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 298 K, pH 6.5, Details 13C,15N ER411, 1.1 mM

#	Name	Isotope labeling	Concentration
1	ER411	[U-100% 13C; U-100% 15N]	1.1 mM
2	sodium azide	natural abundance	0.02 %
3	TRIS	natural abundance	10 mM
4	sodium chloride	natural abundance	100 mM
5	H2O		90 %
6	D2O		10 %

5 3D 1H-15N NOESY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 298 K, pH 6.5, Details 13C,15N ER411, 1.1 mM

#	Name	Isotope labeling	Concentration
1	ER411	[U-100% 13C; U-100% 15N]	1.1 mM
2	sodium azide	natural abundance	0.02 %
3	TRIS	natural abundance	10 mM
4	sodium chloride	natural abundance	100 mM
5	H2O		90 %
6	D2O		10 %

6 3D 1H-13C NOESY (aliph)

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 298 K, pH 6.5, Details 13C,15N ER411, 1.1 mM

#	Name	Isotope labeling	Concentration
1	ER411	[U-100% 13C; U-100% 15N]	1.1 mM
2	sodium azide	natural abundance	0.02 %
3	TRIS	natural abundance	10 mM
4	sodium chloride	natural abundance	100 mM
5	H2O		90 %
6	D2O		10 %

7 3D HCCH-TOCSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 298 K, pH 6.5, Details 13C,15N ER411, 1.1 mM

#	Name	Isotope labeling	Concentration
1	ER411	[U-100% 13C; U-100% 15N]	1.1 mM
2	sodium azide	natural abundance	0.02 %
3	TRIS	natural abundance	10 mM
4	sodium chloride	natural abundance	100 mM
5	H2O		90 %
6	D2O		10 %

8 3D H(CCO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 298 K, pH 6.5, Details 13C,15N ER411, 1.1 mM

#	Name	Isotope labeling	Concentration
1	ER411	[U-100% 13C; U-100% 15N]	1.1 mM
2	sodium azide	natural abundance	0.02 %
3	TRIS	natural abundance	10 mM
4	sodium chloride	natural abundance	100 mM
5	H2O		90 %
6	D2O		10 %

9 2D 1H-15N HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State anisotropic, Solvent system 90% H2O/10% D2O, Temperature 298 K, pH 6.5, Details 13C,15N ER411,0.5 mM in phage (5mg/ml)

#	Name	Isotope labeling	Concentration
7	ER411	[U-100% 13C; U-100% 15N]	0.5 mM
8	sodium azide	natural abundance	0.02 %
9	TRIS	natural abundance	10 mM
10	sodium chloride	natural abundance	250 mM
11	Pf1 phage	natural abundance	5 mg
12	H2O		90 %
13	D2O		10 %

10 3D 1H-13C NOESY (arom)

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 298 K, pH 6.5, Details 13C,15N ER411, 1.1 mM

#	Name	Isotope labeling	Concentration
1	ER411	[U-100% 13C; U-100% 15N]	1.1 mM
2	sodium azide	natural abundance	0.02 %
3	TRIS	natural abundance	10 mM
4	sodium chloride	natural abundance	100 mM
5	H2O		90 %
6	D2O		10 %

NMR combined restraints 3 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints	combined_15088_2jn7.nef
Input source #2: Coordindates	2jn7.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
MSNTTWGLQRDITPRLGARLVQEGNQLHYLADRASITGKFSDAECPKLDVVFPHFISQIESMLTTGELNPRHAQCVTLYHNGFTCEADTLGSCGYVYIAV
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MSNTTWGLQRDITPRLGARLVQEGNQLHYLADRASITGKFSDAECPKLDVVFPHFISQIESMLTTGELNPRHAQCVTLYHNGFTCEADTLGSCGYVYIAV

-------110---
YPTQRLEHHHHHH
|||||||||||||
YPTQRLEHHHHHH

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	113	0	0	100.0

Content subtype: combined_15088_2jn7.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	899		91.2 (chain: A, length: 113)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	Warning	1327 (1)	noe	90.3 (chain: A, length: 113)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 113, Sequence coverage: 91.2%
- Total number of assignments
  - ¹H chemical shifts: 514
  - ¹³C chemical shifts: 287
  - ¹⁵N chemical shifts: 98
- 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	664	514	77.4
¹³C chemical shifts	510	287	56.3
¹⁵N chemical shifts	125	98	78.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	229	208	90.8
¹³C chemical shifts	226	102	45.1
¹⁵N chemical shifts	108	97	89.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	435	306	70.3
¹³C chemical shifts	284	185	65.1
¹⁵N chemical shifts	17	1	5.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	63	60	95.2
¹³C chemical shifts	63	51	81.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	66	33	50.0
¹³C chemical shifts	65	32	49.2
¹⁵N chemical shifts	1	1	100.0

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 113, Sequence coverage: 90.3%
- Total number of restraints: 1325
- Weight of restraints: 1.0 (1325)
- Potential type of restraints: square-well-parabolic (1325)
- Range of distance target values: 2.5, 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

Keywords Hypothetical 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 (0.738 seconds)

BMRB: 15088

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. ER411, : 1 : 3 : 8 entities Detail

Interaction partners 1. ER411, : 1 interactors Detail

Experiments performed 10 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

NMR combined restraints 3 contents Detail