Sixth Gelsolin-like domain of villin
PRLFECSNKT GRFLATEIVD FTQDDLDEND VYLLDTWDQI FFWIGKGANE SEKEAAAETA QEYLRSHPGS RDLDTPIIVV KQGFEPPTFT GWFMAWDPLC WSDRKSY
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 84.7 % (1077 of 1272) | 83.0 % (546 of 658) | 84.4 % (423 of 501) | 95.6 % (108 of 113) |
Backbone | 96.8 % (610 of 630) | 97.2 % (208 of 214) | 95.6 % (301 of 315) | 100.0 % (101 of 101) |
Sidechain | 76.0 % (565 of 743) | 76.1 % (338 of 444) | 76.7 % (220 of 287) | 58.3 % (7 of 12) |
Aromatic | 58.9 % (99 of 168) | 61.9 % (52 of 84) | 53.2 % (42 of 79) | 100.0 % (5 of 5) |
Methyl | 85.7 % (84 of 98) | 85.7 % (42 of 49) | 85.7 % (42 of 49) |
1. D6
PRLFECSNKT GRFLATEIVD FTQDDLDEND VYLLDTWDQI FFWIGKGANE SEKEAAAETA QEYLRSHPGS RDLDTPIIVV KQGFEPPTFT GWFMAWDPLC WSDRKSYSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | H2O | natural abundance | 50 M | |
2 | D2O | [U-2H] | 5 M | |
3 | DTT | [U-2H] | 10 mM | |
4 | sodium azide | natural abundance | 0.01 % | |
5 | Calcium Chloride | natural abundance | 5 mM | |
6 | PIPES | [U-2H] | 20 mM | |
7 | D6 | [U-99% 13C; U-99% 15N] | 1 mM |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | H2O | natural abundance | 50 M | |
9 | D2O | [U-2H] | 5 M | |
10 | DTT | [U-2H] | 10 mM | |
11 | sodium azide | natural abundance | 0.01 % | |
12 | Calcium Chloride | natural abundance | 5 mM | |
13 | PIPES | [U-2H] | 20 mM | |
14 | D6 | natural abundance | 1 mM |
Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
15 | D2O | [U-2H] | 55 M | |
16 | DTT | [U-2H] | 10 mM | |
17 | sodium azide | natural abundance | 0.01 % | |
18 | Calcium Chloride | natural abundance | 5 mM | |
19 | PIPES | [U-2H] | 20 mM | |
20 | D6 | natural abundance | 1 mM |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | TSP | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | TSP | methyl protons | 0.0 ppm | external | direct | 1.0 |
15N | TSP | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | TSP | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | TSP | methyl protons | 0.0 ppm | external | direct | 1.0 |
15N | TSP | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | TSP | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | TSP | methyl protons | 0.0 ppm | external | direct | 1.0 |
15N | TSP | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | TSP | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | TSP | methyl protons | 0.0 ppm | external | direct | 1.0 |
15N | TSP | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Varian INOVA - 720 MHz NHMFL,Florida State University, Tallahassee, FL
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | H2O | natural abundance | 50 M | |
2 | D2O | [U-2H] | 5 M | |
3 | DTT | [U-2H] | 10 mM | |
4 | sodium azide | natural abundance | 0.01 % | |
5 | Calcium Chloride | natural abundance | 5 mM | |
6 | PIPES | [U-2H] | 20 mM | |
7 | D6 | [U-99% 13C; U-99% 15N] | 1 mM |
Varian INOVA - 720 MHz NHMFL,Florida State University, Tallahassee, FL
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | H2O | natural abundance | 50 M | |
2 | D2O | [U-2H] | 5 M | |
3 | DTT | [U-2H] | 10 mM | |
4 | sodium azide | natural abundance | 0.01 % | |
5 | Calcium Chloride | natural abundance | 5 mM | |
6 | PIPES | [U-2H] | 20 mM | |
7 | D6 | [U-99% 13C; U-99% 15N] | 1 mM |
Varian INOVA - 720 MHz NHMFL,Florida State University, Tallahassee, FL
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | H2O | natural abundance | 50 M | |
2 | D2O | [U-2H] | 5 M | |
3 | DTT | [U-2H] | 10 mM | |
4 | sodium azide | natural abundance | 0.01 % | |
5 | Calcium Chloride | natural abundance | 5 mM | |
6 | PIPES | [U-2H] | 20 mM | |
7 | D6 | [U-99% 13C; U-99% 15N] | 1 mM |
Varian INOVA - 720 MHz NHMFL,Florida State University, Tallahassee, FL
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | H2O | natural abundance | 50 M | |
9 | D2O | [U-2H] | 5 M | |
10 | DTT | [U-2H] | 10 mM | |
11 | sodium azide | natural abundance | 0.01 % | |
12 | Calcium Chloride | natural abundance | 5 mM | |
13 | PIPES | [U-2H] | 20 mM | |
14 | D6 | natural abundance | 1 mM |
Varian INOVA - 720 MHz NHMFL,Florida State University, Tallahassee, FL
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | H2O | natural abundance | 50 M | |
2 | D2O | [U-2H] | 5 M | |
3 | DTT | [U-2H] | 10 mM | |
4 | sodium azide | natural abundance | 0.01 % | |
5 | Calcium Chloride | natural abundance | 5 mM | |
6 | PIPES | [U-2H] | 20 mM | |
7 | D6 | [U-99% 13C; U-99% 15N] | 1 mM |
Varian INOVA - 720 MHz NHMFL,Florida State University, Tallahassee, FL
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | H2O | natural abundance | 50 M | |
2 | D2O | [U-2H] | 5 M | |
3 | DTT | [U-2H] | 10 mM | |
4 | sodium azide | natural abundance | 0.01 % | |
5 | Calcium Chloride | natural abundance | 5 mM | |
6 | PIPES | [U-2H] | 20 mM | |
7 | D6 | [U-99% 13C; U-99% 15N] | 1 mM |
Varian INOVA - 720 MHz NHMFL,Florida State University, Tallahassee, FL
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | H2O | natural abundance | 50 M | |
2 | D2O | [U-2H] | 5 M | |
3 | DTT | [U-2H] | 10 mM | |
4 | sodium azide | natural abundance | 0.01 % | |
5 | Calcium Chloride | natural abundance | 5 mM | |
6 | PIPES | [U-2H] | 20 mM | |
7 | D6 | [U-99% 13C; U-99% 15N] | 1 mM |
Varian INOVA - 720 MHz NHMFL,Florida State University, Tallahassee, FL
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | H2O | natural abundance | 50 M | |
2 | D2O | [U-2H] | 5 M | |
3 | DTT | [U-2H] | 10 mM | |
4 | sodium azide | natural abundance | 0.01 % | |
5 | Calcium Chloride | natural abundance | 5 mM | |
6 | PIPES | [U-2H] | 20 mM | |
7 | D6 | [U-99% 13C; U-99% 15N] | 1 mM |
Varian INOVA - 720 MHz NHMFL,Florida State University, Tallahassee, FL
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | H2O | natural abundance | 50 M | |
2 | D2O | [U-2H] | 5 M | |
3 | DTT | [U-2H] | 10 mM | |
4 | sodium azide | natural abundance | 0.01 % | |
5 | Calcium Chloride | natural abundance | 5 mM | |
6 | PIPES | [U-2H] | 20 mM | |
7 | D6 | [U-99% 13C; U-99% 15N] | 1 mM |
Varian INOVA - 720 MHz NHMFL,Florida State University, Tallahassee, FL
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | H2O | natural abundance | 50 M | |
2 | D2O | [U-2H] | 5 M | |
3 | DTT | [U-2H] | 10 mM | |
4 | sodium azide | natural abundance | 0.01 % | |
5 | Calcium Chloride | natural abundance | 5 mM | |
6 | PIPES | [U-2H] | 20 mM | |
7 | D6 | [U-99% 13C; U-99% 15N] | 1 mM |
Varian INOVA - 720 MHz NHMFL,Florida State University, Tallahassee, FL
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | H2O | natural abundance | 50 M | |
2 | D2O | [U-2H] | 5 M | |
3 | DTT | [U-2H] | 10 mM | |
4 | sodium azide | natural abundance | 0.01 % | |
5 | Calcium Chloride | natural abundance | 5 mM | |
6 | PIPES | [U-2H] | 20 mM | |
7 | D6 | [U-99% 13C; U-99% 15N] | 1 mM |
Varian INOVA - 720 MHz NHMFL,Florida State University, Tallahassee, FL
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | H2O | natural abundance | 50 M | |
2 | D2O | [U-2H] | 5 M | |
3 | DTT | [U-2H] | 10 mM | |
4 | sodium azide | natural abundance | 0.01 % | |
5 | Calcium Chloride | natural abundance | 5 mM | |
6 | PIPES | [U-2H] | 20 mM | |
7 | D6 | [U-99% 13C; U-99% 15N] | 1 mM |
Varian INOVA - 720 MHz NHMFL,Florida State University, Tallahassee, FL
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | H2O | natural abundance | 50 M | |
2 | D2O | [U-2H] | 5 M | |
3 | DTT | [U-2H] | 10 mM | |
4 | sodium azide | natural abundance | 0.01 % | |
5 | Calcium Chloride | natural abundance | 5 mM | |
6 | PIPES | [U-2H] | 20 mM | |
7 | D6 | [U-99% 13C; U-99% 15N] | 1 mM |
Varian INOVA - 720 MHz NHMFL,Florida State University, Tallahassee, FL
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | H2O | natural abundance | 50 M | |
2 | D2O | [U-2H] | 5 M | |
3 | DTT | [U-2H] | 10 mM | |
4 | sodium azide | natural abundance | 0.01 % | |
5 | Calcium Chloride | natural abundance | 5 mM | |
6 | PIPES | [U-2H] | 20 mM | |
7 | D6 | [U-99% 13C; U-99% 15N] | 1 mM |
Varian INOVA - 720 MHz NHMFL,Florida State University, Tallahassee, FL
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | H2O | natural abundance | 50 M | |
2 | D2O | [U-2H] | 5 M | |
3 | DTT | [U-2H] | 10 mM | |
4 | sodium azide | natural abundance | 0.01 % | |
5 | Calcium Chloride | natural abundance | 5 mM | |
6 | PIPES | [U-2H] | 20 mM | |
7 | D6 | [U-99% 13C; U-99% 15N] | 1 mM |
Varian INOVA - 720 MHz NHMFL,Florida State University, Tallahassee, FL
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
15 | D2O | [U-2H] | 55 M | |
16 | DTT | [U-2H] | 10 mM | |
17 | sodium azide | natural abundance | 0.01 % | |
18 | Calcium Chloride | natural abundance | 5 mM | |
19 | PIPES | [U-2H] | 20 mM | |
20 | D6 | natural abundance | 1 mM |
Varian INOVA - 720 MHz NHMFL,Florida State University, Tallahassee, FL
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
15 | D2O | [U-2H] | 55 M | |
16 | DTT | [U-2H] | 10 mM | |
17 | sodium azide | natural abundance | 0.01 % | |
18 | Calcium Chloride | natural abundance | 5 mM | |
19 | PIPES | [U-2H] | 20 mM | |
20 | D6 | natural abundance | 1 mM |
Varian INOVA - 720 MHz NHMFL,Florida State University, Tallahassee, FL
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | H2O | natural abundance | 50 M | |
2 | D2O | [U-2H] | 5 M | |
3 | DTT | [U-2H] | 10 mM | |
4 | sodium azide | natural abundance | 0.01 % | |
5 | Calcium Chloride | natural abundance | 5 mM | |
6 | PIPES | [U-2H] | 20 mM | |
7 | D6 | [U-99% 13C; U-99% 15N] | 1 mM |
Varian INOVA - 720 MHz NHMFL,Florida State University, Tallahassee, FL
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | H2O | natural abundance | 50 M | |
2 | D2O | [U-2H] | 5 M | |
3 | DTT | [U-2H] | 10 mM | |
4 | sodium azide | natural abundance | 0.01 % | |
5 | Calcium Chloride | natural abundance | 5 mM | |
6 | PIPES | [U-2H] | 20 mM | |
7 | D6 | [U-99% 13C; U-99% 15N] | 1 mM |
Varian INOVA - 720 MHz NHMFL,Florida State University, Tallahassee, FL
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | H2O | natural abundance | 50 M | |
2 | D2O | [U-2H] | 5 M | |
3 | DTT | [U-2H] | 10 mM | |
4 | sodium azide | natural abundance | 0.01 % | |
5 | Calcium Chloride | natural abundance | 5 mM | |
6 | PIPES | [U-2H] | 20 mM | |
7 | D6 | [U-99% 13C; U-99% 15N] | 1 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_18046_2llf.nef |
Input source #2: Coordindates | 2llf.cif |
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
NoneOther bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
NoneNon-standard residues
NoneSequence alignments
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 PRLFECSNKTGRFLATEIVDFTQDDLDENDVYLLDTWDQIFFWIGKGANESEKEAAAETAQEYLRSHPGSRDLDTPIIVVKQGFEPPTFTGWFMAWDPLC |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| PRLFECSNKTGRFLATEIVDFTQDDLDENDVYLLDTWDQIFFWIGKGANESEKEAAAETAQEYLRSHPGSRDLDTPIIVVKQGFEPPTFTGWFMAWDPLC ------- WSDRKSY ||||||| WSDRKSY
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 107 | 0 | 0 | 100.0 |
Content subtype: combined_18046_2llf.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 PRLFECSNKTGRFLATEIVDFTQDDLDENDVYLLDTWDQIFFWIGKGANESEKEAAAETAQEYLRSHPGSRDLDTPIIVVKQGFEPPTFTGWFMAWDPLC ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| |||||||||||||| PRLFECSNKTGRFLATEIVDFTQDDLDENDVYLLDTWDQIFFWIGKGANESEKEAAAETAQEYLRSHPGSRDLDTPIIVVKQGFE.PTFTGWFMAWDPLC ------- WSDRKSY ||||||| WSDRKSY
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 658 | 546 | 83.0 |
13C chemical shifts | 501 | 423 | 84.4 |
15N chemical shifts | 118 | 108 | 91.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 214 | 212 | 99.1 |
13C chemical shifts | 214 | 204 | 95.3 |
15N chemical shifts | 101 | 101 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 444 | 334 | 75.2 |
13C chemical shifts | 287 | 219 | 76.3 |
15N chemical shifts | 17 | 7 | 41.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 50 | 42 | 84.0 |
13C chemical shifts | 50 | 42 | 84.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 84 | 47 | 56.0 |
13C chemical shifts | 79 | 41 | 51.9 |
15N chemical shifts | 5 | 5 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 PRLFECSNKTGRFLATEIVDFTQDDLDENDVYLLDTWDQIFFWIGKGANESEKEAAAETAQEYLRSHPGSRDLDTPIIVVKQGFEPPTFTGWFMAWDPLC |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ||||||||||||||| |||||||||||||| .RLFECSNKTGRFLATEIVDFTQDDLDENDVYLLDTWDQIFFWIGKGANESEKEAAAETAQEYLRSH...RDLDTPIIVVKQGFE.PTFTGWFMAWDPLC ------- WSDRKSY ||||||| WSDRKSY
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 PRLFECSNKTGRFLATEIVDFTQDDLDENDVYLLDTWDQIFFWIGKGANESEKEAAAETAQEYLRSHPGSRDLDTPIIVVKQGFEPPTFTGWFMAWDPLC |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| PRLFECSNKTGRFLATEIVDFTQDDLDENDVYLLDTWDQIFFWIGKGANESEKEAAAETAQEYLRSHPGSRDLDTPIIVVKQGFEPPTFTGWFMAWDPLC ------- WSDRKSY ||||||| WSDRKSY