BMRBj - BMREntryMaster

Found 1 Document (1.065 seconds)

BMRB: 4681

1OPA

Backbone and side-chain 1H, 13C, and 15N Chemical Shift Assignments for apo-CRBPII

Authors

Lu, J., Lin, C., Tang, C., Ponder, J.W., Kao, J.L.F., Cistola, D.P., Li, E.

Assembly

Rat apo-cellular retinol-binding protein II

Entity

1. Rat apo-cellular retinol-binding protein II (polymer, Thiol state: all free), 134 monomers, 15584.38 Da Detail

MTKDQNGTWE MESNENFEGY MKALDIDFAT RKIAVRLTQT KIIVQDGDNF KTKTNSTFRN YDLDFTVGVE FDEHTKGLDG RNVKTLVTWE GNTLVCVQKG EKENRGWKQW VEGDKLYLEL TCGDQVCRQV FKKK

Formula weight

15584.38 Da

Source organism

Rattus norvegicus

Exptl. method

NMR

Refine. method

SIMULATED ANNEALING REFINEMENT

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 99.3 %, Completeness: 93.9 %, Completeness (bb): 98.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	93.9 % (1514 of 1612)	97.4 % (820 of 842)	88.1 % (543 of 616)	98.1 % (151 of 154)
Backbone	98.3 % (790 of 804)	97.5 % (272 of 279)	98.5 % (385 of 391)	99.3 % (133 of 134)
Sidechain	90.8 % (845 of 931)	97.3 % (548 of 563)	80.2 % (279 of 348)	90.0 % (18 of 20)
Aromatic	57.5 % (84 of 146)	100.0 % (73 of 73)	10.1 % (7 of 69)	100.0 % (4 of 4)
Methyl	99.2 % (129 of 130)	100.0 % (65 of 65)	98.5 % (64 of 65)

1. Apo cellular retinol-binding protein II

MTKDQNGTWE MESNENFEGY MKALDIDFAT RKIAVRLTQT KIIVQDGDNF KTKTNSTFRN YDLDFTVGVE FDEHTKGLDG RNVKTLVTWE GNTLVCVQKG EKENRGWKQW VEGDKLYLEL TCGDQVCRQV FKKK

Show sample condition

Sample #1

Temperature 298 (±1) K, pH 7.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Apo cellular retinol-binding protein II	[U-99% 13C; U-99% 15N]		1.0 ~ 2.0 mM

Sample #2

Temperature 298 (±1) K, pH 7.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	Apo cellular retinol-binding protein II			1.5 mM

Chem. Shift Complete2

Sequence coverage: 35.8 %, Completeness: 55.6 %, Completeness (bb): 60.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	55.6 % (1791 of 3224)	57.1 % (962 of 1684)	51.8 % (638 of 1232)	62.0 % (191 of 308)
Backbone	60.8 % (978 of 1608)	60.6 % (338 of 558)	59.8 % (468 of 782)	64.2 % (172 of 268)
Sidechain	51.5 % (958 of 1862)	55.4 % (624 of 1126)	45.3 % (315 of 696)	47.5 % (19 of 40)
Aromatic	31.8 % (93 of 292)	56.2 % (82 of 146)	5.1 % (7 of 138)	50.0 % (4 of 8)
Methyl	55.8 % (145 of 260)	58.5 % (76 of 130)	53.1 % (69 of 130)

1. Apo cellular retinol-binding protein II

MTKDQNGTWE MESNENFEGY MKALDIDFAT RKIAVRLTQT KIIVQDGDNF KTKTNSTFRN YDLDFTVGVE FDEHTKGLDG RNVKTLVTWE GNTLVCVQKG EKENRGWKQW VEGDKLYLEL TCGDQVCRQV FKKK

Show sample condition

Sample #1

Temperature 298 (±1) K, pH 7.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Apo cellular retinol-binding protein II	[U-99% 13C; U-99% 15N]		1.0 ~ 2.0 mM

Sample #2

Temperature 298 (±1) K, pH 7.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	Apo cellular retinol-binding protein II			1.5 mM

Chem. Shift Complete3

Sequence coverage: 100.0 %, Completeness: 55.0 %, Completeness (bb): 60.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	55.0 % (2659 of 4836)	62.2 % (1572 of 2526)	40.3 % (745 of 1848)	74.0 % (342 of 462)
Backbone	60.5 % (1460 of 2412)	72.9 % (610 of 837)	46.4 % (544 of 1173)	76.1 % (306 of 402)
Sidechain	49.1 % (1370 of 2793)	57.0 % (962 of 1689)	35.6 % (372 of 1044)	60.0 % (36 of 60)
Aromatic	29.2 % (128 of 438)	47.0 % (103 of 219)	8.2 % (17 of 207)	66.7 % (8 of 12)
Methyl	50.3 % (196 of 390)	57.9 % (113 of 195)	42.6 % (83 of 195)

1. Apo cellular retinol-binding protein II

MTKDQNGTWE MESNENFEGY MKALDIDFAT RKIAVRLTQT KIIVQDGDNF KTKTNSTFRN YDLDFTVGVE FDEHTKGLDG RNVKTLVTWE GNTLVCVQKG EKENRGWKQW VEGDKLYLEL TCGDQVCRQV FKKK

Show sample condition

Sample

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	Apo cellular retinol-binding protein II	[U-99% 15N]		1.5 mM

Chem. Shift Complete4

Sequence coverage: 41.0 %, Completeness: 47.3 %, Completeness (bb): 53.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	47.3 % (3051 of 6448)	52.7 % (1776 of 3368)	35.6 % (876 of 2464)	64.8 % (399 of 616)
Backbone	53.1 % (1709 of 3216)	63.4 % (708 of 1116)	41.1 % (643 of 1564)	66.8 % (358 of 536)
Sidechain	41.6 % (1549 of 3724)	47.5 % (1069 of 2252)	31.5 % (439 of 1392)	51.2 % (41 of 80)
Aromatic	25.3 % (148 of 584)	39.4 % (115 of 292)	8.3 % (23 of 276)	62.5 % (10 of 16)
Methyl	44.4 % (231 of 520)	50.8 % (132 of 260)	38.1 % (99 of 260)

1. Apo cellular retinol-binding protein II

MTKDQNGTWE MESNENFEGY MKALDIDFAT RKIAVRLTQT KIIVQDGDNF KTKTNSTFRN YDLDFTVGVE FDEHTKGLDG RNVKTLVTWE GNTLVCVQKG EKENRGWKQW VEGDKLYLEL TCGDQVCRQV FKKK

Show sample condition

Sample

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	Apo cellular retinol-binding protein II	[U-99% 15N]		1.5 mM

Protein Blocks Logo

Calculated from 24 models in PDB: 1B4M, Strand ID: A Detail

Release date

2000-03-19

Citation 1

The structure and dynamics of rat apo-cellular retinol-binding protein II in solution: comparison with the X-ray structure
Lu, J., Lin, C., Tang, C., Ponder, J.W., Kao, J.L.F., Cistola, D.P., Li, E.
J. Mol. Biol. (1999), 286, 1179-1195, PubMed 10047490 , DOI 10.1006/jmbi.1999.2544 , Abstract

Show more 1 citaion

Citation 2

Crystal structures of holo and apo-cellular retinol-binding protein II
Winter, N.S., Bratt, J.M., Banaszak, L.J.
J. Mol. Biol. (1993), 230, 1247-1259, PubMed 8487303 , DOI 10.1006/jmbi.1993.1239 , Abstract

Hide non-primary 1 citaion

Related entities 1. Rat apo-cellular retinol-binding protein II, : 1 : 5 : 252 entities Detail

Interaction partners 1. Rat apo-cellular retinol-binding protein II, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Chemical shift validation 6 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr4681_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: bmr4681_3.str

#	Content subtype	Saveframe	Status	# of rows	Sequence coverage (%)
1	Assigned chemical shifts	shift_set_1	Warning	1638	99.3 (chain: 1, length: 134)
2	Assigned chemical shifts	shift_set_2	Warning	10	1.5 (chain: 1, length: 134)
3	Assigned chemical shifts	shift_set_3	Warning	788	98.5 (chain: 1, length: 134)
4	Assigned chemical shifts	shift_set_4	Warning	107	18.7 (chain: 1, length: 134)
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: 134, Sequence coverage: 99.3%
- Total number of assignments
  - ¹³C chemical shifts: 545
  - ¹H chemical shifts: 945
  - ¹⁵N chemical shifts: 148
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- 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
Saveframe: shift_set_2
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 134, Sequence coverage: 1.5%
- Total number of assignments
  - ¹³C chemical shifts: 3
  - ¹H chemical shifts: 6
  - ¹⁵N chemical shifts: 1
- Completeness of assignments
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1
Saveframe: shift_set_3
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 134, Sequence coverage: 98.5%
- Total number of assignments
  - ¹H chemical shifts: 636
  - ¹⁵N chemical shifts: 152
- Completeness of assignments
  - Entity_assemble_ID: 1
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1
Saveframe: shift_set_4
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 134, Sequence coverage: 18.7%
- Total number of assignments
  - ¹H chemical shifts: 80
  - ¹⁵N chemical shifts: 27
- Completeness of assignments
- 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)
6	ASN	CG	177.3
14	ASN	CG	176.5
49	ASN	CG	176.1
55	ASN	CG	174.9
74	HIS	HD1	6.44
82	ASN	CG	176.6
104	ASN	CG	177.6
125	GLN	CD	179.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	616	538	87.3
¹H chemical shifts	842	814	96.7
¹⁵N chemical shifts	160	148	92.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	268	266	99.3
¹H chemical shifts	279	269	96.4
¹⁵N chemical shifts	134	130	97.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	348	272	78.2
¹H chemical shifts	563	545	96.8
¹⁵N chemical shifts	26	18	69.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	68	65	95.6
¹H chemical shifts	68	65	95.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	69	0	0.0
¹H chemical shifts	73	73	100.0
¹⁵N chemical shifts	4	4	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	842	570	67.7
¹⁵N chemical shifts	160	152	95.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	279	270	96.8
¹⁵N chemical shifts	134	132	98.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	563	300	53.3
¹⁵N chemical shifts	26	20	76.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	68	33	48.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	73	8	11.0
¹⁵N chemical shifts	4	4	100.0

Keywords cellular retinol-binding protein, lipid-binding protein, NMR, structure, lipid transport

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Found 1 Document (1.065 seconds)

BMRB: 4681

Sample #1

Sample #2

Sample #1

Sample #2

Sample

Sample

Related entities 1. Rat apo-cellular retinol-binding protein II, : 1 : 5 : 252 entities Detail

Interaction partners 1. Rat apo-cellular retinol-binding protein II, : 1 interactors Detail

Chemical shift validation 6 contents Detail