Apo form of Calmodulin-Like Domain of Human Non-Muscle alpha-actinin 1
GSSISQEQMN EFRASFNHFD RDHSGTLGPE EFKACLISLG YDIGNDPQGE AEFARIMSIV DPNRLGVVTF QAFIDFMSRE TADTDTADQV MASFKILAGD KNYITMDELR RELPPDQAEY CIARMAPYTG PDSVPGALDY MSFSTALYGE SDL
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 91.0 % (1561 of 1715) | 97.3 % (862 of 886) | 81.1 % (546 of 673) | 98.1 % (153 of 156) |
Backbone | 85.6 % (772 of 902) | 97.7 % (302 of 309) | 73.2 % (328 of 448) | 97.9 % (142 of 145) |
Sidechain | 97.2 % (928 of 955) | 97.1 % (560 of 577) | 97.3 % (357 of 367) | 100.0 % (11 of 11) |
Aromatic | 94.9 % (148 of 156) | 94.9 % (74 of 78) | 94.9 % (74 of 78) | |
Methyl | 98.6 % (138 of 140) | 98.6 % (69 of 70) | 98.6 % (69 of 70) |
1. Calmodulin-Like Domain of alpha-actinin 1
GSSISQEQMN EFRASFNHFD RDHSGTLGPE EFKACLISLG YDIGNDPQGE AEFARIMSIV DPNRLGVVTF QAFIDFMSRE TADTDTADQV MASFKILAGD KNYITMDELR RELPPDQAEY CIARMAPYTG PDSVPGALDY MSFSTALYGE SDLSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Calmodulin-Like Domain of alpha-actinin 1 | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | HEPES | natural abundance | 20 mM | |
3 | Sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 1.5 mM | |
5 | EGTA | natural abundance | 0.05 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl carbon | 0.0 ppm | external | direct | 1.0 |
1H | DSS | methyl protons | 0.0 ppm | external | direct | 1.0 |
15N | ammonium hydroxide | nitrogen | 0.0 ppm | external | direct | 1.0 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl carbon | 0.0 ppm | external | direct | 1.0 |
1H | DSS | methyl protons | 0.0 ppm | external | direct | 1.0 |
15N | ammonium hydroxide | nitrogen | 0.0 ppm | external | direct | 1.0 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl carbon | 0.0 ppm | external | direct | 1.0 |
1H | DSS | methyl protons | 0.0 ppm | external | direct | 1.0 |
15N | ammonium hydroxide | nitrogen | 0.0 ppm | external | direct | 1.0 |
Varian VNMRS - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Calmodulin-Like Domain of alpha-actinin 1 | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | HEPES | natural abundance | 20 mM | |
3 | Sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 1.5 mM | |
5 | EGTA | natural abundance | 0.05 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Varian VNMRS - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Calmodulin-Like Domain of alpha-actinin 1 | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | HEPES | natural abundance | 20 mM | |
3 | Sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 1.5 mM | |
5 | EGTA | natural abundance | 0.05 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Varian VNMRS - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Calmodulin-Like Domain of alpha-actinin 1 | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | HEPES | natural abundance | 20 mM | |
3 | Sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 1.5 mM | |
5 | EGTA | natural abundance | 0.05 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Varian VNMRS - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Calmodulin-Like Domain of alpha-actinin 1 | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | HEPES | natural abundance | 20 mM | |
3 | Sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 1.5 mM | |
5 | EGTA | natural abundance | 0.05 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Varian VNMRS - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Calmodulin-Like Domain of alpha-actinin 1 | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | HEPES | natural abundance | 20 mM | |
3 | Sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 1.5 mM | |
5 | EGTA | natural abundance | 0.05 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Varian VNMRS - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Calmodulin-Like Domain of alpha-actinin 1 | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | HEPES | natural abundance | 20 mM | |
3 | Sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 1.5 mM | |
5 | EGTA | natural abundance | 0.05 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Varian VNMRS - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Calmodulin-Like Domain of alpha-actinin 1 | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | HEPES | natural abundance | 20 mM | |
3 | Sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 1.5 mM | |
5 | EGTA | natural abundance | 0.05 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Varian VNMRS - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Calmodulin-Like Domain of alpha-actinin 1 | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | HEPES | natural abundance | 20 mM | |
3 | Sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 1.5 mM | |
5 | EGTA | natural abundance | 0.05 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Varian VNMRS - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Calmodulin-Like Domain of alpha-actinin 1 | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | HEPES | natural abundance | 20 mM | |
3 | Sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 1.5 mM | |
5 | EGTA | natural abundance | 0.05 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Varian VNMRS - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Calmodulin-Like Domain of alpha-actinin 1 | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | HEPES | natural abundance | 20 mM | |
3 | Sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 1.5 mM | |
5 | EGTA | natural abundance | 0.05 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Varian VNMRS - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Calmodulin-Like Domain of alpha-actinin 1 | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | HEPES | natural abundance | 20 mM | |
3 | Sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 1.5 mM | |
5 | EGTA | natural abundance | 0.05 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Varian VNMRS - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Calmodulin-Like Domain of alpha-actinin 1 | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | HEPES | natural abundance | 20 mM | |
3 | Sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 1.5 mM | |
5 | EGTA | natural abundance | 0.05 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Varian VNMRS - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Calmodulin-Like Domain of alpha-actinin 1 | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | HEPES | natural abundance | 20 mM | |
3 | Sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 1.5 mM | |
5 | EGTA | natural abundance | 0.05 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Varian VNMRS - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Calmodulin-Like Domain of alpha-actinin 1 | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | HEPES | natural abundance | 20 mM | |
3 | Sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 1.5 mM | |
5 | EGTA | natural abundance | 0.05 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_25871_2n8z.nef |
Input source #2: Coordindates | 2n8z.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
740-----750-------760-------770-------780-------790-------800-------810-------820-------830-------84 GSSISQEQMNEFRASFNHFDRDHSGTLGPEEFKACLISLGYDIGNDPQGEAEFARIMSIVDPNRLGVVTFQAFIDFMSRETADTDTADQVMASFKILAGD |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GSSISQEQMNEFRASFNHFDRDHSGTLGPEEFKACLISLGYDIGNDPQGEAEFARIMSIVDPNRLGVVTFQAFIDFMSRETADTDTADQVMASFKILAGD --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 0-------850-------860-------870-------880-------890-- KNYITMDELRRELPPDQAEYCIARMAPYTGPDSVPGALDYMSFSTALYGESDL ||||||||||||||||||||||||||||||||||||||||||||||||||||| KNYITMDELRRELPPDQAEYCIARMAPYTGPDSVPGALDYMSFSTALYGESDL -------110-------120-------130-------140-------150---
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 153 | 0 | 0 | 100.0 |
Content subtype: combined_25871_2n8z.nef
Assigned chemical shifts
740-----750-------760-------770-------780-------790-------800-------810-------820-------830-------84 GSSISQEQMNEFRASFNHFDRDHSGTLGPEEFKACLISLGYDIGNDPQGEAEFARIMSIVDPNRLGVVTFQAFIDFMSRETADTDTADQVMASFKILAGD ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ...ISQEQMNEFRASFNHFDRDHSGTLGPEEFKACLISLGYDIGNDPQGEAEFARIMSIVDPNRLGVVTFQAFIDFMSRETADTDTADQVMASFKILAGD 0-------850-------860-------870-------880-------890-- KNYITMDELRRELPPDQAEYCIARMAPYTGPDSVPGALDYMSFSTALYGESDL ||||||||||||| |||||||||||||| |||||||||||||||||||||||| KNYITMDELRREL.PDQAEYCIARMAPY.GPDSVPGALDYMSFSTALYGESDL
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 886 | 852 | 96.2 |
13C chemical shifts | 673 | 504 | 74.9 |
15N chemical shifts | 164 | 152 | 92.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 309 | 299 | 96.8 |
13C chemical shifts | 306 | 148 | 48.4 |
15N chemical shifts | 145 | 141 | 97.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 577 | 553 | 95.8 |
13C chemical shifts | 367 | 356 | 97.0 |
15N chemical shifts | 19 | 11 | 57.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 77 | 76 | 98.7 |
13C chemical shifts | 77 | 76 | 98.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 78 | 74 | 94.9 |
13C chemical shifts | 78 | 74 | 94.9 |
Distance restraints
740-----750-------760-------770-------780-------790-------800-------810-------820-------830-------84 GSSISQEQMNEFRASFNHFDRDHSGTLGPEEFKACLISLGYDIGNDPQGEAEFARIMSIVDPNRLGVVTFQAFIDFMSRETADTDTADQVMASFKILAGD ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ...ISQEQMNEFRASFNHFDRDHSGTLGPEEFKACLISLGYDIGNDPQGEAEFARIMSIVDPNRLGVVTFQAFIDFMSRETADTDTADQVMASFKILAGD 0-------850-------860-------870-------880-------890-- KNYITMDELRRELPPDQAEYCIARMAPYTGPDSVPGALDYMSFSTALYGESDL ||||||||||||| |||||||||||||| |||||||||||||||||||||||| KNYITMDELRREL.PDQAEYCIARMAPY.GPDSVPGALDYMSFSTALYGESDL
Dihedral angle restraints
740-----750-------760-------770-------780-------790-------800-------810-------820-------830-------84 GSSISQEQMNEFRASFNHFDRDHSGTLGPEEFKACLISLGYDIGNDPQGEAEFARIMSIVDPNRLGVVTFQAFIDFMSRETADTDTADQVMASFKILAGD ||||||||||||||||||||||||||||||||||||| |||||||||||||||||||||||||||||||||||||| ||||||||||||||| ...ISQEQMNEFRASFNHFDRDHSGTLGPEEFKACLISLG....NDPQGEAEFARIMSIVDPNRLGVVTFQAFIDFMSRETA...TADQVMASFKILAGD 740-----750-------760-------770-------780-------790-------800-------810-------820-------830-------84 0-------850-------860-------870-------880-------890-- KNYITMDELRRELPPDQAEYCIARMAPYTGPDSVPGALDYMSFSTALYGESDL ||||||||||||||||||||||||||||| ||||||||||| KNYITMDELRRELPPDQAEYCIARMAPYT......GALDYMSFSTA 0-------850-------860-------870-------880-----