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Found 1 Document (2.469 seconds)

BMRB: 5319

1KGL

1H and 15N assignments of rat holo cellular retinol-binding protein type I (CRBP-I)

Authors

Franzoni, L., Luecke, C., Perez, C., Cavazzini, D., Rademacher, M., Ludwig, C., Spisni, A., Rossi, G., Rueterjans, H.

Assembly

cellular retinol-binding protein type I

Entity

1. cellular retinol-binding protein type I (polymer, Thiol state: all free), 135 monomers, 15833.88 Da Detail

MPVDFNGYWK MLSNENFEEY LRALDVNVAL RKIANLLKPD KEIVQDGDHM IIRTLSTFRN YIMDFQVGKE FEEDLTGIDD RKCMTTVSWD GDKLQCVQKG EKEGRGWTQW IEGDELHLEM RAEGVTCKQV FKKVH

2. RTL (non-polymer), 286.452 Da

Total weight

16120.332 Da

Max. entity weight

15833.88 Da

Source organism

Rattus norvegicus

Exptl. method

NMR

Refine. method

TORSION ANGLE DYNAMICS COMBINED WITH SIMULATED ANNEALING FOLLOWED BY ENERGY MINIMIZATION

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 100.0 %, Completeness: 99.4 %, Completeness (bb): 99.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹⁵N
All	99.4 % (998 of 1004)	99.4 % (850 of 855)	99.3 % (148 of 149)
Backbone	99.0 % (407 of 411)	98.9 % (275 of 278)	99.2 % (132 of 133)
Sidechain	99.7 % (591 of 593)	99.7 % (575 of 577)	100.0 % (16 of 16)
Aromatic	100.0 % (76 of 76)	100.0 % (72 of 72)	100.0 % (4 of 4)
Methyl	100.0 % (67 of 67)	100.0 % (67 of 67)

1. cellular retinol-binding protein type I

MPVDFNGYWK MLSNENFEEY LRALDVNVAL RKIANLLKPD KEIVQDGDHM IIRTLSTFRN YIMDFQVGKE FEEDLTGIDD RKCMTTVSWD GDKLQCVQKG EKEGRGWTQW IEGDELHLEM RAEGVTCKQV FKKVH

Show sample condition

Sample #1

Temperature 298 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	cellular retinol-binding protein type I			1.6 mM
2	RETINOL			1.6 mM

Sample #2

Temperature 298 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	cellular retinol-binding protein type I	[U-15N]		1.6 mM
4	RETINOL			1.6 mM

Chem. Shift Complete2

Sequence coverage: 21.5 %, Completeness: 57.2 %, Completeness (bb): 58.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹⁵N
All	57.2 % (1148 of 2008)	57.0 % (975 of 1710)	58.1 % (173 of 298)
Backbone	58.8 % (483 of 822)	58.8 % (327 of 556)	58.6 % (156 of 266)
Sidechain	56.1 % (665 of 1186)	56.2 % (648 of 1154)	53.1 % (17 of 32)
Aromatic	53.3 % (81 of 152)	53.5 % (77 of 144)	50.0 % (4 of 8)
Methyl	56.7 % (76 of 134)	56.7 % (76 of 134)

1. cellular retinol-binding protein type I

MPVDFNGYWK MLSNENFEEY LRALDVNVAL RKIANLLKPD KEIVQDGDHM IIRTLSTFRN YIMDFQVGKE FEEDLTGIDD RKCMTTVSWD GDKLQCVQKG EKEGRGWTQW IEGDELHLEM RAEGVTCKQV FKKVH

Show sample condition

Sample #1

Temperature 298 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	cellular retinol-binding protein type I			1.6 mM
2	RETINOL			1.6 mM

Sample #2

Temperature 298 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	cellular retinol-binding protein type I	[U-15N]		1.6 mM
4	RETINOL			1.6 mM

Protein Blocks Logo

Calculated from 20 models in PDB: 1JBH, Strand ID: A Detail

Release date

2002-06-12

Citation

Structure and backbone dynamics of Apo- and holo-cellular retinol-binding protein in solution
Franzoni, L., Luecke, C., Perez, C., Cavazzini, D., Rademacher, M., Ludwig, C., Spisni, A., Rossi, G., Rueterjans, H.
J. Biol. Chem. (2002), 277, 21983-21997, PubMed 11934897 , DOI 10.1074/jbc.M201994200 , Abstract

Entries sharing articles BMRB: 3 entries Detail

  BMRB: 5048 released on 2002-06-12
    Title 1H and 15N assignments of rat apo cellular retinol-binding protein type I (CRBP-I)
  BMRB: 5330 released on 2002-06-12
    Title Backbone relaxation data of rat apo cellular retinol-binding protein type I (CRBP-I)
  BMRB: 5331 released on 2002-06-12
    Title Backbone relaxation data of rat holo cellular retinol-binding protein type I (CRBP-I)

Related entities 1. cellular retinol-binding protein type I, : 1 : 3 : 27 : 214 entities Detail

Interaction partners 1. cellular retinol-binding protein type I, : 2 interactors Detail

More details for 2 interactors identified by 1 citations

Experiments performed 6 experiments Detail

1 1H-1H TOCSY

Instrument

Model Bruker DMX (600 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	cellular retinol-binding protein type I			1.6 mM
2	RETINOL			1.6 mM

Sample #2

Temperature 298 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	cellular retinol-binding protein type I	[U-15N]		1.6 mM
4	RETINOL			1.6 mM

2 1H-1H NOESY

Instrument

Model Bruker DMX (600 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	cellular retinol-binding protein type I			1.6 mM
2	RETINOL			1.6 mM

Sample #2

Temperature 298 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	cellular retinol-binding protein type I	[U-15N]		1.6 mM
4	RETINOL			1.6 mM

3 1H-15N HSQC

Instrument

Model Bruker DMX (600 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	cellular retinol-binding protein type I			1.6 mM
2	RETINOL			1.6 mM

Sample #2

Temperature 298 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	cellular retinol-binding protein type I	[U-15N]		1.6 mM
4	RETINOL			1.6 mM

4 1H-15N HTQC

Instrument

Model Bruker DMX (600 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	cellular retinol-binding protein type I			1.6 mM
2	RETINOL			1.6 mM

Sample #2

Temperature 298 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	cellular retinol-binding protein type I	[U-15N]		1.6 mM
4	RETINOL			1.6 mM

5 1H-15N TOCSY-HSQC

Instrument

Model Bruker DMX (600 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	cellular retinol-binding protein type I			1.6 mM
2	RETINOL			1.6 mM

Sample #2

Temperature 298 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	cellular retinol-binding protein type I	[U-15N]		1.6 mM
4	RETINOL			1.6 mM

6 1H-15N NOESY-HSQC

Instrument

Model Bruker DMX (600 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	cellular retinol-binding protein type I			1.6 mM
2	RETINOL			1.6 mM

Sample #2

Temperature 298 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	cellular retinol-binding protein type I	[U-15N]		1.6 mM
4	RETINOL			1.6 mM

Chemical shift validation 5 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr5319_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

Chain_ID	Seq_ID	Comp_ID	Chem_comp_name	Experimental evidences
2	1	RTL	RETINOL	Assigned chemical shifts

Content subtype: bmr5319_3.str

#	Content subtype	Saveframe	Status	# of rows	Sequence coverage (%)
1	Assigned chemical shifts	shift_1	Warning	1169	100.0 (chain: 1, length: 135)
2	Assigned chemical shifts	shift_2	Warning	29	100.0 (chain: 2, length: 1)
1	Chemical shift references	chemical_shift_reference	OK	2	No information

Assigned chemical shifts

Saveframe: shift_1

Status: Warning

Sequence coverage of experimental data

Entity_assembly_ID: 1, Chain length: 135, Sequence coverage: 100.0%

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

-------110-------120-------130-----
EKEGRGWTQWIEGDELHLEMRAEGVTCKQVFKKVH
|||||||||||||||||||||||||||||||||||
EKEGRGWTQWIEGDELHLEMRAEGVTCKQVFKKVH

Total number of assignments
- ¹H chemical shifts: 1010
- ¹⁵N chemical shifts: 159

Completeness of assignments

Entity_assemble_ID: 1

Excluded Atom_ID in statistics

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
41	LYS	HZ1	6.98
41	LYS	HZ2	6.98
41	LYS	HZ3	6.98
41	LYS	NZ	33.1
81	ARG	HH21	6.72
81	ARG	HH22	6.72
81	ARG	NH2	71.3
83	CYS	HG	1.15
96	CYS	HG	0.25
105	ARG	HH11	9.82
105	ARG	HH12	6.74
105	ARG	HH21	7.96
105	ARG	HH22	7.42
105	ARG	NH1	77.8
105	ARG	NH2	77.4
108	THR	HG1	6.29
127	CYS	HG	2.42

All atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	855	853	99.8
¹⁵N chemical shifts	156	155	99.4

Backbone atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	278	277	99.6
¹⁵N chemical shifts	133	132	99.2

Side chain atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	577	576	99.8
¹⁵N chemical shifts	23	23	100.0

Methyl group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	73	72	98.6

Aromatic group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	72	72	100.0
¹⁵N chemical shifts	4	4	100.0

Histogram of normalized assigned chemical shifts
Random coil index and derived parameters (S² and NMR RMSD)
- Chain_ID: 1

Saveframe: shift_2
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 2, Chain length: 1, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 29
- Completeness of assignments
  - Entity_assemble_ID: 2
- Histogram of normalized assigned chemical shifts

Comp_index_ID	Comp_ID
1	RTL

Keywords beta barrel, lipid binding protein, retinoid carrier, holo form, 15N isotope enrichment

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Found 1 Document (2.469 seconds)

BMRB: 5319

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Entries sharing articles BMRB: 3 entries Detail

Related entities 1. cellular retinol-binding protein type I, : 1 : 3 : 27 : 214 entities Detail

Interaction partners 1. cellular retinol-binding protein type I, : 2 interactors Detail

Experiments performed 6 experiments Detail

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Chemical shift validation 5 contents Detail