k-Ssm1a
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | disulfide | sing | 1:CYS9:SG | 1:CYS36:SG |
2 | disulfide | sing | 1:CYS19:SG | 1:CYS35:SG |
3 | disulfide | sing | 1:CYS22:SG | 1:CYS45:SG |
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 96.8 % (570 of 589) | 98.7 % (308 of 312) | 94.1 % (207 of 220) | 96.5 % (55 of 57) |
Backbone | 97.4 % (304 of 312) | 97.2 % (103 of 106) | 98.1 % (151 of 154) | 96.2 % (50 of 52) |
Sidechain | 95.4 % (312 of 327) | 98.1 % (202 of 206) | 90.5 % (105 of 116) | 100.0 % (5 of 5) |
Aromatic | 78.3 % (36 of 46) | 100.0 % (23 of 23) | 56.5 % (13 of 23) | |
Methyl | 96.2 % (25 of 26) | 92.3 % (12 of 13) | 100.0 % (13 of 13) |
1. k-Ssm1a
TDDESSNKCA KTKRRENVCR VCGNRSGNDE YYSECCESDY RYHRCLDLLR NFSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ammonium acetate | natural abundance | 20 mM | |
2 | k-Ss1a | [U-13C; U-15N] | 400 uM | |
3 | D2O | natural abundance | 5 % | |
4 | H2O | natural abundance | 95 % |
Bruker Avance - 900 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ammonium acetate | natural abundance | 20 mM | |
2 | k-Ss1a | [U-13C; U-15N] | 400 uM | |
3 | D2O | natural abundance | 5 % | |
4 | H2O | natural abundance | 95 % |
Bruker Avance - 900 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ammonium acetate | natural abundance | 20 mM | |
2 | k-Ss1a | [U-13C; U-15N] | 400 uM | |
3 | D2O | natural abundance | 5 % | |
4 | H2O | natural abundance | 95 % |
Bruker Avance - 900 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ammonium acetate | natural abundance | 20 mM | |
2 | k-Ss1a | [U-13C; U-15N] | 400 uM | |
3 | D2O | natural abundance | 5 % | |
4 | H2O | natural abundance | 95 % |
Bruker Avance - 900 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ammonium acetate | natural abundance | 20 mM | |
2 | k-Ss1a | [U-13C; U-15N] | 400 uM | |
3 | D2O | natural abundance | 5 % | |
4 | H2O | natural abundance | 95 % |
Bruker Avance - 900 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ammonium acetate | natural abundance | 20 mM | |
2 | k-Ss1a | [U-13C; U-15N] | 400 uM | |
3 | D2O | natural abundance | 5 % | |
4 | H2O | natural abundance | 95 % |
Bruker Avance - 900 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ammonium acetate | natural abundance | 20 mM | |
2 | k-Ss1a | [U-13C; U-15N] | 400 uM | |
3 | D2O | natural abundance | 5 % | |
4 | H2O | natural abundance | 95 % |
Bruker Avance - 900 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ammonium acetate | natural abundance | 20 mM | |
2 | k-Ss1a | [U-13C; U-15N] | 400 uM | |
3 | D2O | natural abundance | 5 % | |
4 | H2O | natural abundance | 95 % |
Bruker Avance - 900 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ammonium acetate | natural abundance | 20 mM | |
2 | k-Ss1a | [U-13C; U-15N] | 400 uM | |
3 | D2O | natural abundance | 5 % | |
4 | H2O | natural abundance | 95 % |
Bruker Avance - 900 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ammonium acetate | natural abundance | 20 mM | |
2 | k-Ss1a | [U-13C; U-15N] | 400 uM | |
3 | D2O | natural abundance | 5 % | |
4 | H2O | natural abundance | 95 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_18945_2m35.nef |
Input source #2: Coordindates | 2m35.cif |
Diamagnetism of the molecular assembly | True (excluding Oxygen atoms) |
Whether the assembly has a disulfide bond | True (see coordinates for details) |
Whether the assembly has a other bond | None |
Whether the assembly contains a cyclic polymer | None |
Overall data processing status | Warning |
Disulfide bonds
Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
NoneNon-standard residues
NoneSequence alignments
--------10--------20--------30--------40--------50-- TDDESSNKCAKTKRRENVCRVCGNRSGNDEYYSECCESDYRYHRCLDLLRNF |||||||||||||||||||||||||||||||||||||||||||||||||||| TDDESSNKCAKTKRRENVCRVCGNRSGNDEYYSECCESDYRYHRCLDLLRNF
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 52 | 0 | 0 | 100.0 |
Content subtype: combined_18945_2m35.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50-- TDDESSNKCAKTKRRENVCRVCGNRSGNDEYYSECCESDYRYHRCLDLLRNF |||||||||||||||||||||||||||||||||||||||||||||||||||| TDDESSNKCAKTKRRENVCRVCGNRSGNDEYYSECCESDYRYHRCLDLLRNF
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 312 | 311 | 99.7 |
13C chemical shifts | 220 | 209 | 95.0 |
15N chemical shifts | 64 | 63 | 98.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 106 | 105 | 99.1 |
13C chemical shifts | 104 | 103 | 99.0 |
15N chemical shifts | 52 | 51 | 98.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 206 | 206 | 100.0 |
13C chemical shifts | 116 | 106 | 91.4 |
15N chemical shifts | 12 | 12 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 13 | 13 | 100.0 |
13C chemical shifts | 13 | 13 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 23 | 23 | 100.0 |
13C chemical shifts | 23 | 13 | 56.5 |
Covalent bonds
Distance restraints
Dihedral angle restraints
--------10--------20--------30--------40--------50-- TDDESSNKCAKTKRRENVCRVCGNRSGNDEYYSECCESDYRYHRCLDLLRNF |||||||||||||||||||||||||||||||||||||||||||||||||| ..DESSNKCAKTKRRENVCRVCGNRSGNDEYYSECCESDYRYHRCLDLLRNF