BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	86.3 % (1235 of 1431)	85.7 % (628 of 733)	87.0 % (494 of 568)	86.9 % (113 of 130)
Backbone	97.1 % (715 of 736)	96.4 % (242 of 251)	97.8 % (361 of 369)	96.6 % (112 of 116)
Sidechain	78.2 % (635 of 812)	80.1 % (386 of 482)	78.5 % (248 of 316)	7.1 % (1 of 14)
Aromatic	1.9 % (2 of 104)	1.9 % (1 of 52)	0.0 % (0 of 51)	100.0 % (1 of 1)
Methyl	93.8 % (150 of 160)	97.5 % (78 of 80)	90.0 % (72 of 80)

1. entity 1

MASDYKDDDD KLHLILLPAT GNVAENSPPG TSVHKFSVKL SASLSPVIPG FPQIVNSNPL TEAFRVNWLS GTYFEVVTTG MEQLDFETGP NIFDLQIYVK DEVGVTDLQV LTVQVTDVNE PPGGTK

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Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.0, Details 0.4 mM [U-100% 13C; U-100% 15N] CDHR3 extracellular domain EC1, 50 mM HEPES, 300 mM potassium chloride, 10 mM calcium chloride, 0.05 % w/v sodium azide, 10 % v/v [U-100% 2H] D2O, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	CDHR3 extracellular domain EC1	[U-100% 13C; U-100% 15N]	0.4 mM
2	HEPES	natural abundance	50 mM
3	potassium chloride	natural abundance	300 mM
4	calcium chloride	natural abundance	10 mM
5	sodium azide	natural abundance	0.05 % w/v
6	D2O	[U-100% 2H]	10 % v/v

Protein Blocks Logo

Calculated from 20 models in PDB: 7KNV, Strand ID: A Detail

Release date

2020-12-08

Citation

Solution NMR Determination of the CDHR3 Rhinovirus-C Binding Domain, EC1
Lee, W., Frederick, R.O., Tonelli, M., Palmenberg, A.C.
Viruses (2021), 13, 159-159, PubMed 33499226 , DOI 10.3390/v13020159 , Abstract

Related entities 1. Cadherin-related family member 3, entity 1, : 1 : 1 : 1 : 17 entities Detail

Experiments performed 14 experiments Detail

1 3D HNCACB

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.0, Details 0.4 mM [U-100% 13C; U-100% 15N] CDHR3 extracellular domain EC1, 50 mM HEPES, 300 mM potassium chloride, 10 mM calcium chloride, 0.05 % w/v sodium azide, 10 % v/v [U-100% 2H] D2O, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	CDHR3 extracellular domain EC1	[U-100% 13C; U-100% 15N]	0.4 mM
2	HEPES	natural abundance	50 mM
3	potassium chloride	natural abundance	300 mM
4	calcium chloride	natural abundance	10 mM
5	sodium azide	natural abundance	0.05 % w/v
6	D2O	[U-100% 2H]	10 % v/v

2 3D CBCA(CO)NH

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	CDHR3 extracellular domain EC1	[U-100% 13C; U-100% 15N]	0.4 mM
2	HEPES	natural abundance	50 mM
3	potassium chloride	natural abundance	300 mM
4	calcium chloride	natural abundance	10 mM
5	sodium azide	natural abundance	0.05 % w/v
6	D2O	[U-100% 2H]	10 % v/v

3 3D HNCA

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	CDHR3 extracellular domain EC1	[U-100% 13C; U-100% 15N]	0.4 mM
2	HEPES	natural abundance	50 mM
3	potassium chloride	natural abundance	300 mM
4	calcium chloride	natural abundance	10 mM
5	sodium azide	natural abundance	0.05 % w/v
6	D2O	[U-100% 2H]	10 % v/v

4 3D HN(CO)CA

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	CDHR3 extracellular domain EC1	[U-100% 13C; U-100% 15N]	0.4 mM
2	HEPES	natural abundance	50 mM
3	potassium chloride	natural abundance	300 mM
4	calcium chloride	natural abundance	10 mM
5	sodium azide	natural abundance	0.05 % w/v
6	D2O	[U-100% 2H]	10 % v/v

5 3D HN(CA)CO

Instrument

Varian VNMR - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	CDHR3 extracellular domain EC1	[U-100% 13C; U-100% 15N]	0.4 mM
2	HEPES	natural abundance	50 mM
3	potassium chloride	natural abundance	300 mM
4	calcium chloride	natural abundance	10 mM
5	sodium azide	natural abundance	0.05 % w/v
6	D2O	[U-100% 2H]	10 % v/v

6 3D HNCO

Instrument

Varian VNMR - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	CDHR3 extracellular domain EC1	[U-100% 13C; U-100% 15N]	0.4 mM
2	HEPES	natural abundance	50 mM
3	potassium chloride	natural abundance	300 mM
4	calcium chloride	natural abundance	10 mM
5	sodium azide	natural abundance	0.05 % w/v
6	D2O	[U-100% 2H]	10 % v/v

7 3D HBHA(CO)NH

Instrument

Varian VNMR - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	CDHR3 extracellular domain EC1	[U-100% 13C; U-100% 15N]	0.4 mM
2	HEPES	natural abundance	50 mM
3	potassium chloride	natural abundance	300 mM
4	calcium chloride	natural abundance	10 mM
5	sodium azide	natural abundance	0.05 % w/v
6	D2O	[U-100% 2H]	10 % v/v

8 3D HCCH-TOCSY

Instrument

Varian VNMR - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	CDHR3 extracellular domain EC1	[U-100% 13C; U-100% 15N]	0.4 mM
2	HEPES	natural abundance	50 mM
3	potassium chloride	natural abundance	300 mM
4	calcium chloride	natural abundance	10 mM
5	sodium azide	natural abundance	0.05 % w/v
6	D2O	[U-100% 2H]	10 % v/v

9 3D HCCH-TOCSY

Instrument

Varian VNMR - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	CDHR3 extracellular domain EC1	[U-100% 13C; U-100% 15N]	0.4 mM
2	HEPES	natural abundance	50 mM
3	potassium chloride	natural abundance	300 mM
4	calcium chloride	natural abundance	10 mM
5	sodium azide	natural abundance	0.05 % w/v
6	D2O	[U-100% 2H]	10 % v/v

10 3D HCCH-COSY

Instrument

Varian VNMR - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	CDHR3 extracellular domain EC1	[U-100% 13C; U-100% 15N]	0.4 mM
2	HEPES	natural abundance	50 mM
3	potassium chloride	natural abundance	300 mM
4	calcium chloride	natural abundance	10 mM
5	sodium azide	natural abundance	0.05 % w/v
6	D2O	[U-100% 2H]	10 % v/v

11 3D NOESY 1H-15N HSQC

Instrument

Varian VNMR - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	CDHR3 extracellular domain EC1	[U-100% 13C; U-100% 15N]	0.4 mM
2	HEPES	natural abundance	50 mM
3	potassium chloride	natural abundance	300 mM
4	calcium chloride	natural abundance	10 mM
5	sodium azide	natural abundance	0.05 % w/v
6	D2O	[U-100% 2H]	10 % v/v

12 3D NOESY 1H-13C HSQC aliphatic

Instrument

Varian VNMR - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	CDHR3 extracellular domain EC1	[U-100% 13C; U-100% 15N]	0.4 mM
2	HEPES	natural abundance	50 mM
3	potassium chloride	natural abundance	300 mM
4	calcium chloride	natural abundance	10 mM
5	sodium azide	natural abundance	0.05 % w/v
6	D2O	[U-100% 2H]	10 % v/v

13 2D 1H-13C HSQC aliphatic

Instrument

Varian VNMR - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	CDHR3 extracellular domain EC1	[U-100% 13C; U-100% 15N]	0.4 mM
2	HEPES	natural abundance	50 mM
3	potassium chloride	natural abundance	300 mM
4	calcium chloride	natural abundance	10 mM
5	sodium azide	natural abundance	0.05 % w/v
6	D2O	[U-100% 2H]	10 % v/v

14 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	CDHR3 extracellular domain EC1	[U-100% 13C; U-100% 15N]	0.4 mM
2	HEPES	natural abundance	50 mM
3	potassium chloride	natural abundance	300 mM
4	calcium chloride	natural abundance	10 mM
5	sodium azide	natural abundance	0.05 % w/v
6	D2O	[U-100% 2H]	10 % v/v

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr30812_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: bmr30812_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1403		99.2 (chain: 1, length: 126)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 126, Sequence coverage: 99.2%
- Total number of assignments
  - ¹H chemical shifts: 797
  - ¹³C chemical shifts: 493
  - ¹⁵N chemical shifts: 113
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	733	637	86.9
¹³C chemical shifts	568	493	86.8
¹⁵N chemical shifts	130	113	86.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	251	246	98.0
¹³C chemical shifts	252	245	97.2
¹⁵N chemical shifts	116	112	96.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	482	391	81.1
¹³C chemical shifts	316	248	78.5
¹⁵N chemical shifts	14	1	7.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	82	80	97.6
¹³C chemical shifts	82	72	87.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	52	1	1.9
¹³C chemical shifts	51	0	0.0
¹⁵N chemical shifts	1	1	100.0

Keywords CELL ADHESION, receptor

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Found 1 Document (0.681 seconds)

BMRB: 30812

Sample

Related entities 1. Cadherin-related family member 3, entity 1, : 1 : 1 : 1 : 17 entities Detail

Experiments performed 14 experiments Detail

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Chemical shift validation 4 contents Detail