Filamin A Ig-like domains 18-19
GAMGDDSMRM SHLKVGSAAD IPINISETDL SLLTATVVPP SGREEPCLLK RLRNGHVGIS FVPKETGEHL VHVKKNGQHV ASSPIPVVIS QSEIGDASRV RVSGQGLHEG HTFEPAEFII DTRDAGYGGL SLSIEGPSKV DINTEDLEDG TCRVTYCPTE PGNYIINIKF ADQHVPGSPF SVKVTGEGRV K
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 95.8 % (2011 of 2099) | 98.0 % (1064 of 1086) | 93.7 % (773 of 825) | 92.6 % (174 of 188) |
Backbone | 94.3 % (1056 of 1120) | 96.2 % (375 of 390) | 93.7 % (517 of 552) | 92.1 % (164 of 178) |
Sidechain | 96.5 % (1109 of 1149) | 97.6 % (679 of 696) | 94.8 % (420 of 443) | 100.0 % (10 of 10) |
Aromatic | 84.9 % (90 of 106) | 100.0 % (53 of 53) | 69.8 % (37 of 53) | |
Methyl | 99.1 % (214 of 216) | 100.0 % (108 of 108) | 98.1 % (106 of 108) |
1. FLNa18-19
GAMGDDSMRM SHLKVGSAAD IPINISETDL SLLTATVVPP SGREEPCLLK RLRNGHVGIS FVPKETGEHL VHVKKNGQHV ASSPIPVVIS QSEIGDASRV RVSGQGLHEG HTFEPAEFII DTRDAGYGGL SLSIEGPSKV DINTEDLEDG TCRVTYCPTE PGNYIINIKF ADQHVPGSPF SVKVTGEGRV KSolvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 303.15 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FLNa18-19 | [U-13C; U-15N] | 0.8 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | potassium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | sodium azide | natural abundance | 2 mM | |
6 | H2O | natural abundance | 93 % | |
7 | D2O | [U-100% 2H] | 7 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.727517 ppm | internal | indirect | 0.2514495 |
1H | water | protons | 4.727517 ppm | internal | indirect | 1.0 |
15N | water | protons | 4.727517 ppm | internal | indirect | 0.101329 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.727517 ppm | internal | indirect | 0.2514495 |
1H | water | protons | 4.727517 ppm | internal | indirect | 1.0 |
15N | water | protons | 4.727517 ppm | internal | indirect | 0.101329 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.727517 ppm | internal | indirect | 0.2514495 |
1H | water | protons | 4.727517 ppm | internal | indirect | 1.0 |
15N | water | protons | 4.727517 ppm | internal | indirect | 0.101329 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.727517 ppm | internal | indirect | 0.2514495 |
1H | water | protons | 4.727517 ppm | internal | indirect | 1.0 |
15N | water | protons | 4.727517 ppm | internal | indirect | 0.101329 |
Varian INOVA - 800 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 303.15 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FLNa18-19 | [U-13C; U-15N] | 0.8 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | potassium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | sodium azide | natural abundance | 2 mM | |
6 | H2O | natural abundance | 93 % | |
7 | D2O | [U-100% 2H] | 7 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 303.15 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FLNa18-19 | [U-13C; U-15N] | 0.8 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | potassium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | sodium azide | natural abundance | 2 mM | |
6 | H2O | natural abundance | 93 % | |
7 | D2O | [U-100% 2H] | 7 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 303.15 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FLNa18-19 | [U-13C; U-15N] | 0.8 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | potassium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | sodium azide | natural abundance | 2 mM | |
6 | H2O | natural abundance | 93 % | |
7 | D2O | [U-100% 2H] | 7 % |
Bruker DRX - 750 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 303.15 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FLNa18-19 | [U-13C; U-15N] | 0.8 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | potassium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | sodium azide | natural abundance | 2 mM | |
6 | H2O | natural abundance | 93 % | |
7 | D2O | [U-100% 2H] | 7 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 303.15 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FLNa18-19 | [U-13C; U-15N] | 0.8 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | potassium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | sodium azide | natural abundance | 2 mM | |
6 | H2O | natural abundance | 93 % | |
7 | D2O | [U-100% 2H] | 7 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 303.15 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FLNa18-19 | [U-13C; U-15N] | 0.8 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | potassium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | sodium azide | natural abundance | 2 mM | |
6 | H2O | natural abundance | 93 % | |
7 | D2O | [U-100% 2H] | 7 % |
Bruker DRX - 750 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 303.15 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FLNa18-19 | [U-13C; U-15N] | 0.8 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | potassium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | sodium azide | natural abundance | 2 mM | |
6 | H2O | natural abundance | 93 % | |
7 | D2O | [U-100% 2H] | 7 % |
Bruker DRX - 750 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 303.15 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FLNa18-19 | [U-13C; U-15N] | 0.8 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | potassium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | sodium azide | natural abundance | 2 mM | |
6 | H2O | natural abundance | 93 % | |
7 | D2O | [U-100% 2H] | 7 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 303.15 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FLNa18-19 | [U-13C; U-15N] | 0.8 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | potassium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | sodium azide | natural abundance | 2 mM | |
6 | H2O | natural abundance | 93 % | |
7 | D2O | [U-100% 2H] | 7 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 303.15 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FLNa18-19 | [U-13C; U-15N] | 0.8 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | potassium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | sodium azide | natural abundance | 2 mM | |
6 | H2O | natural abundance | 93 % | |
7 | D2O | [U-100% 2H] | 7 % |
Bruker DRX - 750 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 303.15 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FLNa18-19 | [U-13C; U-15N] | 0.8 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | potassium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | sodium azide | natural abundance | 2 mM | |
6 | H2O | natural abundance | 93 % | |
7 | D2O | [U-100% 2H] | 7 % |
Bruker DRX - 750 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 303.15 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FLNa18-19 | [U-13C; U-15N] | 0.8 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | potassium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | sodium azide | natural abundance | 2 mM | |
6 | H2O | natural abundance | 93 % | |
7 | D2O | [U-100% 2H] | 7 % |
Bruker DRX - 750 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 303.15 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FLNa18-19 | [U-13C; U-15N] | 0.8 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | potassium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | sodium azide | natural abundance | 2 mM | |
6 | H2O | natural abundance | 93 % | |
7 | D2O | [U-100% 2H] | 7 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 303.15 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FLNa18-19 | [U-13C; U-15N] | 0.8 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | potassium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | sodium azide | natural abundance | 2 mM | |
6 | H2O | natural abundance | 93 % | |
7 | D2O | [U-100% 2H] | 7 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 303.15 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FLNa18-19 | [U-13C; U-15N] | 0.8 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | potassium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | sodium azide | natural abundance | 2 mM | |
6 | H2O | natural abundance | 93 % | |
7 | D2O | [U-100% 2H] | 7 % |
Bruker DRX - 750 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 303.15 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FLNa18-19 | [U-13C; U-15N] | 0.8 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | potassium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | sodium azide | natural abundance | 2 mM | |
6 | H2O | natural abundance | 93 % | |
7 | D2O | [U-100% 2H] | 7 % |
Bruker DRX - 750 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 303.15 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FLNa18-19 | [U-13C; U-15N] | 0.8 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | potassium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | sodium azide | natural abundance | 2 mM | |
6 | H2O | natural abundance | 93 % | |
7 | D2O | [U-100% 2H] | 7 % |
Bruker DRX - 750 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 303.15 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FLNa18-19 | [U-13C; U-15N] | 0.8 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | potassium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | sodium azide | natural abundance | 2 mM | |
6 | H2O | natural abundance | 93 % | |
7 | D2O | [U-100% 2H] | 7 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_15925_2k7q.nef |
Input source #2: Coordindates | 2k7q.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
------1960------1970------1980------1990------2000------2010------2020------2030------2040------2050 GAMGDDSMRMSHLKVGSAADIPINISETDLSLLTATVVPPSGREEPCLLKRLRNGHVGISFVPKETGEHLVHVKKNGQHVASSPIPVVISQSEIGDASRV |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GAMGDDSMRMSHLKVGSAADIPINISETDLSLLTATVVPPSGREEPCLLKRLRNGHVGISFVPKETGEHLVHVKKNGQHVASSPIPVVISQSEIGDASRV --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 ------2060------2070------2080------2090------2100------2110------2120------2130------2140- RVSGQGLHEGHTFEPAEFIIDTRDAGYGGLSLSIEGPSKVDINTEDLEDGTCRVTYCPTEPGNYIINIKFADQHVPGSPFSVKVTGEGRVK ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| RVSGQGLHEGHTFEPAEFIIDTRDAGYGGLSLSIEGPSKVDINTEDLEDGTCRVTYCPTEPGNYIINIKFADQHVPGSPFSVKVTGEGRVK -------110-------120-------130-------140-------150-------160-------170-------180-------190-
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 191 | 0 | 0 | 100.0 |
Content subtype: combined_15925_2k7q.nef
Assigned chemical shifts
------1960------1970------1980------1990------2000------2010------2020------2030------2040------2050 GAMGDDSMRMSHLKVGSAADIPINISETDLSLLTATVVPPSGREEPCLLKRLRNGHVGISFVPKETGEHLVHVKKNGQHVASSPIPVVISQSEIGDASRV |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GAMGDDSMRMSHLKVGSAADIPINISETDLSLLTATVVPPSGREEPCLLKRLRNGHVGISFVPKETGEHLVHVKKNGQHVASSPIPVVISQSEIGDASRV ------2060------2070------2080------2090------2100------2110------2120------2130------2140- RVSGQGLHEGHTFEPAEFIIDTRDAGYGGLSLSIEGPSKVDINTEDLEDGTCRVTYCPTEPGNYIINIKFADQHVPGSPFSVKVTGEGRVK ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| RVSGQGLHEGHTFEPAEFIIDTRDAGYGGLSLSIEGPSKVDINTEDLEDGTCRVTYCPTEPGNYIINIKFADQHVPGSPFSVKVTGEGRVK
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
2019 | HIS | HD1 | 10.761 |
2019 | HIS | ND1 | 164.64 |
2022 | HIS | HE2 | 9.456 |
2114 | TYR | HH | 10.183 |
2124 | HIS | HE2 | 9.638 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 1086 | 1071 | 98.6 |
13C chemical shifts | 825 | 761 | 92.2 |
15N chemical shifts | 197 | 173 | 87.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 390 | 382 | 97.9 |
13C chemical shifts | 382 | 337 | 88.2 |
15N chemical shifts | 178 | 161 | 90.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 696 | 689 | 99.0 |
13C chemical shifts | 443 | 424 | 95.7 |
15N chemical shifts | 19 | 12 | 63.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 111 | 111 | 100.0 |
13C chemical shifts | 111 | 109 | 98.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 53 | 53 | 100.0 |
13C chemical shifts | 53 | 37 | 69.8 |
Distance restraints
------1960------1970------1980------1990------2000------2010------2020------2030------2040------2050 GAMGDDSMRMSHLKVGSAADIPINISETDLSLLTATVVPPSGREEPCLLKRLRNGHVGISFVPKETGEHLVHVKKNGQHVASSPIPVVISQSEIGDASRV ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .....DSMRMSHLKVGSAADIPINISETDLSLLTATVVPPSGREEPCLLKRLRNGHVGISFVPKETGEHLVHVKKNGQHVASSPIPVVISQSEIGDASRV ------2060------2070------2080------2090------2100------2110------2120------2130------2140- RVSGQGLHEGHTFEPAEFIIDTRDAGYGGLSLSIEGPSKVDINTEDLEDGTCRVTYCPTEPGNYIINIKFADQHVPGSPFSVKVTGEGRVK ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| RVSGQGLHEGHTFEPAEFIIDTRDAGYGGLSLSIEGPSKVDINTEDLEDGTCRVTYCPTEPGNYIINIKFADQHVPGSPFSVKVTGEGRVK
Dihedral angle restraints
------1960------1970------1980------1990------2000------2010------2020------2030------2040------2050 GAMGDDSMRMSHLKVGSAADIPINISETDLSLLTATVVPPSGREEPCLLKRLRNGHVGISFVPKETGEHLVHVKKNGQHVASSPIPVVISQSEIGDASRV ||||||||| |||||| |||||||||||||||||||||||||||||||||||||||||||||||| |||||||||||||||||||| .......MRMSHLKVG..ADIPIN....DLSLLTATVVPPSGREEPCLLKRLRNGHVGISFVPKETGEHLVHVKKN....ASSPIPVVISQSEIGDASRV ------1960------1970------1980------1990------2000------2010------2020------2030------2040------2050 ------2060------2070------2080------2090------2100------2110------2120------2130------2140- RVSGQGLHEGHTFEPAEFIIDTRDAGYGGLSLSIEGPSKVDINTEDLEDGTCRVTYCPTEPGNYIINIKFADQHVPGSPFSVKVTGEGRVK |||| ||||||||||||||||||||||||||||||||||||||||||||||||||| |||||||||||| |||||||| RVSG...HEGHTFEPAEFIIDTRDAGYGGLSLSIEGPSKVDINTEDLEDGTCRVTYCP...GNYIINIKFADQ.....PFSVKVTG ------2060------2070------2080------2090------2100------2110------2120------2130------