Solution NMR structure of CDHR3 extracellular domain EC1
MASDYKDDDD KLHLILLPAT GNVAENSPPG TSVHKFSVKL SASLSPVIPG FPQIVNSNPL TEAFRVNWLS GTYFEVVTTG MEQLDFETGP NIFDLQIYVK DEVGVTDLQV LTVQVTDVNE PPGGTK
Polymer type: polypeptide(L)
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 PPGGTKSolvent 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 | Type | 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 |
Bruker AVANCE III - 600 MHz
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 | Type | 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 |
Bruker AVANCE III - 600 MHz
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 | Type | 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 |
Bruker AVANCE III - 600 MHz
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 | Type | 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 |
Bruker AVANCE III - 600 MHz
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 | Type | 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 |
Varian VNMR - 600 MHz
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 | Type | 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 |
Varian VNMR - 600 MHz
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 | Type | 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 |
Varian VNMR - 600 MHz
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 | Type | 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 |
Varian VNMR - 600 MHz
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 | Type | 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 |
Varian VNMR - 800 MHz
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 | Type | 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 |
Varian VNMR - 800 MHz
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 | Type | 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 |
Varian VNMR - 600 MHz
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 | Type | 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 |
Varian VNMR - 600 MHz
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 | Type | 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 |
Varian VNMR - 800 MHz
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 | Type | 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 |
Bruker AVANCE III - 600 MHz
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 | Type | 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 |
Properties
Disulfide bonds
NoneOther bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
NoneNon-standard residues
NoneContent subtype: bmr30812_3.str
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MASDYKDDDDKLHLILLPATGNVAENSPPGTSVHKFSVKLSASLSPVIPGFPQIVNSNPLTEAFRVNWLSGTYFEVVTTGMEQLDFETGPNIFDLQIYVK ||||||||||||||||||||||||||| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MASDYKDDDDKLHLILLPATGNVAENS.PGTSVHKFSVKLSASLSPVIPGFPQIVNSNPLTEAFRVNWLSGTYFEVVTTGMEQLDFETGPNIFDLQIYVK -------110-------120------ DEVGVTDLQVLTVQVTDVNEPPGGTK |||||||||||||||||||||||||| DEVGVTDLQVLTVQVTDVNEPPGGTK
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 |