BMRBj - BMREntryMaster

Found 1 Document (1.258 seconds)

BMRB: 5756

1T0V

Resonance Assignments for the 21 kDa engineered fluorescein-binding lipocalin FluA

Authors

Liu, G., Mills, J.L., Hess, T.A., Kim, S., Skalicky, J.J., Sukumaran, D.K., Kupce, E., Skerra, A., Szyperski, T.

Assembly

fluorescein-binding lipocalin

Entity

1. fluorescein-binding lipocalin (polymer, Thiol state: not reported), 184 monomers, 21001.17 Da Detail

DVYHDGACPE VKPVDNFDWS QYHGKWWEVA KYPSPNGKYG KCGWAEYTPE GKSVKVSRYD VIHGKEYFME GTAYPVGDSK IGKIYHSRTV GGYTKKTVFN VLSTDNKNYI IGYSCRYDED KKGHWDHVWV LSRSMVLTGE AKTAVENYLI GSPVVDSQKL VYSDFSEAAC KVNNSNWSHP QFEK

Formula weight

21001.17 Da

Source organism

Pieris brassicae

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.4 %, Completeness: 95.7 %, Completeness (bb): 94.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	95.7 % (2071 of 2164)	96.4 % (1081 of 1121)	94.8 % (804 of 848)	95.4 % (186 of 195)
Backbone	94.7 % (1030 of 1088)	95.7 % (360 of 376)	93.8 % (503 of 536)	94.9 % (167 of 176)
Sidechain	96.8 % (1204 of 1244)	96.8 % (721 of 745)	96.7 % (464 of 480)	100.0 % (19 of 19)
Aromatic	100.0 % (282 of 282)	100.0 % (141 of 141)	100.0 % (134 of 134)	100.0 % (7 of 7)
Methyl	93.4 % (142 of 152)	94.7 % (72 of 76)	92.1 % (70 of 76)

1. fluorescein-bind lipocalin

Show sample condition

Sample

Temperature 298 (±1) K, pH 6.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	fluorescein-bind lipocalin	[U-95% 13C; U-90% 15N]		0.7 mM

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: 0.08 ppm, Outliers: 2 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: 0.08 ppm, Outliers: 2 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: 2 Detail

LACS Plot; CO

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: 0.34 ppm, Outliers: 1 Detail

Release date

2003-08-06

Citation

Letter to the Editor: Resonace Assignments for the 21 kDa engineered fluorescein-binding lipocalin FluA
Liu, G., Mills, J.L., Hess, T.A., Kim, S., Skalicky, J.J., Sukumaran, D.K., Kupce, E., Skerra, A., Szyperski, T.
J. Biomol. NMR (2003), 27, 187-188, PubMed , DOI:

Related entities 1. fluorescein-binding lipocalin, : 1 : 1 : 31 entities Detail

Experiments performed 13 experiments Detail

1 1H-15N TROSY

Instrument

#1 Model Varian INOVA (900 MHz)

#2 Model Varian INOVA (750 MHz)

#3 Model Varian INOVA (600 MHz)

Sample #1

Temperature 298 (±1) K, pH 6.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	fluorescein-bind lipocalin	[U-95% 13C; U-90% 15N]		0.7 mM

Sample #2

Temperature 298 (±1) K, pH 6.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	fluorescein-bind lipocalin	[U-90% 15N]		0.7 mM

Sample #3

Temperature 298 (±1) K, pH 6.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	fluorescein-bind lipocalin	[U-50% 2H; U-90% 15N]		0.7 mM

2 HNNCACB

Instrument

#1 Model Varian INOVA (900 MHz)

#2 Model Varian INOVA (750 MHz)

#3 Model Varian INOVA (600 MHz)

Sample #1

Temperature 298 (±1) K, pH 6.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	fluorescein-bind lipocalin	[U-95% 13C; U-90% 15N]		0.7 mM

Sample #2

Temperature 298 (±1) K, pH 6.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	fluorescein-bind lipocalin	[U-90% 15N]		0.7 mM

Sample #3

Temperature 298 (±1) K, pH 6.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	fluorescein-bind lipocalin	[U-50% 2H; U-90% 15N]		0.7 mM

3 CBCA(CO)NHN

Instrument

#1 Model Varian INOVA (900 MHz)

#2 Model Varian INOVA (750 MHz)

#3 Model Varian INOVA (600 MHz)

Sample #1

Temperature 298 (±1) K, pH 6.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	fluorescein-bind lipocalin	[U-95% 13C; U-90% 15N]		0.7 mM

Sample #2

Temperature 298 (±1) K, pH 6.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	fluorescein-bind lipocalin	[U-90% 15N]		0.7 mM

Sample #3

Temperature 298 (±1) K, pH 6.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	fluorescein-bind lipocalin	[U-50% 2H; U-90% 15N]		0.7 mM

4 HC(C)HCOSY

Instrument

#1 Model Varian INOVA (900 MHz)

#2 Model Varian INOVA (750 MHz)

#3 Model Varian INOVA (600 MHz)

Sample #1

Temperature 298 (±1) K, pH 6.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	fluorescein-bind lipocalin	[U-95% 13C; U-90% 15N]		0.7 mM

Sample #2

Temperature 298 (±1) K, pH 6.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	fluorescein-bind lipocalin	[U-90% 15N]		0.7 mM

Sample #3

Temperature 298 (±1) K, pH 6.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	fluorescein-bind lipocalin	[U-50% 2H; U-90% 15N]		0.7 mM

5 HC(C)HTOCSY

Instrument

#1 Model Varian INOVA (900 MHz)

#2 Model Varian INOVA (750 MHz)

#3 Model Varian INOVA (600 MHz)

Sample #1

Temperature 298 (±1) K, pH 6.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	fluorescein-bind lipocalin	[U-95% 13C; U-90% 15N]		0.7 mM

Sample #2

Temperature 298 (±1) K, pH 6.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	fluorescein-bind lipocalin	[U-90% 15N]		0.7 mM

Sample #3

Temperature 298 (±1) K, pH 6.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	fluorescein-bind lipocalin	[U-50% 2H; U-90% 15N]		0.7 mM

6 RD HNNCAHA

Instrument

#1 Model Varian INOVA (900 MHz)

#2 Model Varian INOVA (750 MHz)

#3 Model Varian INOVA (600 MHz)

Sample #1

Temperature 298 (±1) K, pH 6.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	fluorescein-bind lipocalin	[U-95% 13C; U-90% 15N]		0.7 mM

Sample #2

Temperature 298 (±1) K, pH 6.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	fluorescein-bind lipocalin	[U-90% 15N]		0.7 mM

Sample #3

Temperature 298 (±1) K, pH 6.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	fluorescein-bind lipocalin	[U-50% 2H; U-90% 15N]		0.7 mM

7 RD HACA(CO)NHN

Instrument

#1 Model Varian INOVA (900 MHz)

#2 Model Varian INOVA (750 MHz)

#3 Model Varian INOVA (600 MHz)

Sample #1

Temperature 298 (±1) K, pH 6.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	fluorescein-bind lipocalin	[U-95% 13C; U-90% 15N]		0.7 mM

Sample #2

Temperature 298 (±1) K, pH 6.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	fluorescein-bind lipocalin	[U-90% 15N]		0.7 mM

Sample #3

Temperature 298 (±1) K, pH 6.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	fluorescein-bind lipocalin	[U-50% 2H; U-90% 15N]		0.7 mM

8 RD HBCBHACA(CO)NHN

Instrument

#1 Model Varian INOVA (900 MHz)

#2 Model Varian INOVA (750 MHz)

#3 Model Varian INOVA (600 MHz)

Sample #1

Temperature 298 (±1) K, pH 6.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	fluorescein-bind lipocalin	[U-95% 13C; U-90% 15N]		0.7 mM

Sample #2

Temperature 298 (±1) K, pH 6.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	fluorescein-bind lipocalin	[U-90% 15N]		0.7 mM

Sample #3

Temperature 298 (±1) K, pH 6.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	fluorescein-bind lipocalin	[U-50% 2H; U-90% 15N]		0.7 mM

9 RD HBCB(CGCD)HD

Instrument

#1 Model Varian INOVA (900 MHz)

#2 Model Varian INOVA (750 MHz)

#3 Model Varian INOVA (600 MHz)

Sample #1

Temperature 298 (±1) K, pH 6.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	fluorescein-bind lipocalin	[U-95% 13C; U-90% 15N]		0.7 mM

Sample #2

Temperature 298 (±1) K, pH 6.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	fluorescein-bind lipocalin	[U-90% 15N]		0.7 mM

Sample #3

Temperature 298 (±1) K, pH 6.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	fluorescein-bind lipocalin	[U-50% 2H; U-90% 15N]		0.7 mM

10 RD 1H-TOCSY relayed HCH COSY

Instrument

#1 Model Varian INOVA (900 MHz)

#2 Model Varian INOVA (750 MHz)

#3 Model Varian INOVA (600 MHz)

Sample #1

Temperature 298 (±1) K, pH 6.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	fluorescein-bind lipocalin	[U-95% 13C; U-90% 15N]		0.7 mM

Sample #2

Temperature 298 (±1) K, pH 6.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	fluorescein-bind lipocalin	[U-90% 15N]		0.7 mM

Sample #3

Temperature 298 (±1) K, pH 6.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	fluorescein-bind lipocalin	[U-50% 2H; U-90% 15N]		0.7 mM

11 1H-13C NOESY

Instrument

#1 Model Varian INOVA (900 MHz)

#2 Model Varian INOVA (750 MHz)

#3 Model Varian INOVA (600 MHz)

Sample #1

Temperature 298 (±1) K, pH 6.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	fluorescein-bind lipocalin	[U-95% 13C; U-90% 15N]		0.7 mM

Sample #2

Temperature 298 (±1) K, pH 6.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	fluorescein-bind lipocalin	[U-90% 15N]		0.7 mM

Sample #3

Temperature 298 (±1) K, pH 6.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	fluorescein-bind lipocalin	[U-50% 2H; U-90% 15N]		0.7 mM

12 1H-15N NOESY

Instrument

#1 Model Varian INOVA (900 MHz)

#2 Model Varian INOVA (750 MHz)

#3 Model Varian INOVA (600 MHz)

Sample #1

Temperature 298 (±1) K, pH 6.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	fluorescein-bind lipocalin	[U-95% 13C; U-90% 15N]		0.7 mM

Sample #2

Temperature 298 (±1) K, pH 6.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	fluorescein-bind lipocalin	[U-90% 15N]		0.7 mM

Sample #3

Temperature 298 (±1) K, pH 6.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	fluorescein-bind lipocalin	[U-50% 2H; U-90% 15N]		0.7 mM

13 1H-15N NOESY-TROSY

Instrument

#1 Model Varian INOVA (900 MHz)

#2 Model Varian INOVA (750 MHz)

#3 Model Varian INOVA (600 MHz)

Sample #1

Temperature 298 (±1) K, pH 6.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	fluorescein-bind lipocalin	[U-95% 13C; U-90% 15N]		0.7 mM

Sample #2

Temperature 298 (±1) K, pH 6.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	fluorescein-bind lipocalin	[U-90% 15N]		0.7 mM

Sample #3

Temperature 298 (±1) K, pH 6.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	fluorescein-bind lipocalin	[U-50% 2H; U-90% 15N]		0.7 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr5756_3.str
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

Content subtype: bmr5756_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	shift_set_1	Warning	2230		98.4 (chain: 1, length: 184)
1	Chemical shift references	chemical_shift_reference	OK	3		No information

Assigned chemical shifts

Saveframe: shift_set_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 184, Sequence coverage: 98.4%
- Total number of assignments
  - ¹⁵N chemical shifts: 185
  - ¹H chemical shifts: 1236
  - ¹³C chemical shifts: 809
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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: 1

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
53	SER	HG	5.44

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹⁵N chemical shifts	199	185	93.0
¹H chemical shifts	1121	1087	97.0
¹³C chemical shifts	848	809	95.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹⁵N chemical shifts	176	166	94.3
¹H chemical shifts	376	359	95.5
¹³C chemical shifts	368	340	92.4

Keywords anticalin, molecular recognition, Protein Design, reduced dimensionality NMR, resonance assignment

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹⁵N chemical shifts	23	19	82.6
¹H chemical shifts	745	728	97.7
¹³C chemical shifts	480	469	97.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹⁵N chemical shifts	7	7	100.0
¹H chemical shifts	141	141	100.0
¹³C chemical shifts	134	134	100.0

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 (1.258 seconds)

BMRB: 5756

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. fluorescein-binding lipocalin, : 1 : 1 : 31 entities Detail

Experiments performed 13 experiments Detail

Instrument

Sample #1

Sample #2

Sample #3

Instrument

Sample #1

Sample #2

Sample #3

Instrument

Sample #1

Sample #2

Sample #3

Instrument

Sample #1

Sample #2

Sample #3

Instrument

Sample #1

Sample #2

Sample #3

Instrument

Sample #1

Sample #2

Sample #3

Instrument

Sample #1

Sample #2

Sample #3

Instrument

Sample #1

Sample #2

Sample #3

Instrument

Sample #1

Sample #2

Sample #3

Instrument

Sample #1

Sample #2

Sample #3

Instrument

Sample #1

Sample #2

Sample #3

Instrument

Sample #1

Sample #2

Sample #3