AIDA-1 SAM domain tandem
MHHHHHHLVP RGSVQTVGQW LESIGLPQYE NHLMANGFDN VQAMGSNVME DQDLLEIGIL NSGHRQRILQ AIQLLPKMRP IGHDGAHPTS VAEWLDSIEL GDYTKAFLIN GYTSMDLLKK IAEVELINVL KINLIGHRKR ILASLGDR
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 74.6 % (1296 of 1737) | 72.6 % (655 of 902) | 76.7 % (517 of 674) | 77.0 % (124 of 161) |
Backbone | 82.2 % (722 of 878) | 81.6 % (248 of 304) | 82.8 % (357 of 431) | 81.8 % (117 of 143) |
Sidechain | 69.1 % (687 of 994) | 68.1 % (407 of 598) | 72.2 % (273 of 378) | 38.9 % (7 of 18) |
Aromatic | 54.5 % (61 of 112) | 55.4 % (31 of 56) | 51.9 % (28 of 54) | 100.0 % (2 of 2) |
Methyl | 88.3 % (166 of 188) | 89.4 % (84 of 94) | 87.2 % (82 of 94) |
1. AIDA-1 SAM domain
MHHHHHHLVP RGSVQTVGQW LESIGLPQYE NHLMANGFDN VQAMGSNVME DQDLLEIGIL NSGHRQRILQ AIQLLPKMRP IGHDGAHPTS VAEWLDSIEL GDYTKAFLIN GYTSMDLLKK IAEVELINVL KINLIGHRKR ILASLGDRSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-99% 15N] | 1.1 mM | |
2 | D2O | natural abundance | 10 % | |
3 | H2O | natural abundance | 90 % | |
4 | sodium azide | natural abundance | 0.05 % | |
5 | sodium phosphate | natural abundance | 5 mM | |
6 | sodium chloride | natural abundance | 50 mM |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Bruker Avance - 900 MHz equipped with cold probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-99% 15N] | 1.1 mM | |
2 | D2O | natural abundance | 10 % | |
3 | H2O | natural abundance | 90 % | |
4 | sodium azide | natural abundance | 0.05 % | |
5 | sodium phosphate | natural abundance | 5 mM | |
6 | sodium chloride | natural abundance | 50 mM |
Bruker Avance - 900 MHz equipped with cold probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-99% 15N] | 1.1 mM | |
2 | D2O | natural abundance | 10 % | |
3 | H2O | natural abundance | 90 % | |
4 | sodium azide | natural abundance | 0.05 % | |
5 | sodium phosphate | natural abundance | 5 mM | |
6 | sodium chloride | natural abundance | 50 mM |
Bruker Avance - 900 MHz equipped with cold probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-99% 15N] | 1.1 mM | |
2 | D2O | natural abundance | 10 % | |
3 | H2O | natural abundance | 90 % | |
4 | sodium azide | natural abundance | 0.05 % | |
5 | sodium phosphate | natural abundance | 5 mM | |
6 | sodium chloride | natural abundance | 50 mM |
Bruker Avance - 900 MHz equipped with cold probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-99% 15N] | 1.1 mM | |
2 | D2O | natural abundance | 10 % | |
3 | H2O | natural abundance | 90 % | |
4 | sodium azide | natural abundance | 0.05 % | |
5 | sodium phosphate | natural abundance | 5 mM | |
6 | sodium chloride | natural abundance | 50 mM |
Varian Uniform NMR System - 600 MHz equipped with salt tolerant cold probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-99% 15N] | 1.1 mM | |
2 | D2O | natural abundance | 10 % | |
3 | H2O | natural abundance | 90 % | |
4 | sodium azide | natural abundance | 0.05 % | |
5 | sodium phosphate | natural abundance | 5 mM | |
6 | sodium chloride | natural abundance | 50 mM |
Varian Uniform NMR System - 600 MHz equipped with salt tolerant cold probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-99% 15N] | 1.1 mM | |
2 | D2O | natural abundance | 10 % | |
3 | H2O | natural abundance | 90 % | |
4 | sodium azide | natural abundance | 0.05 % | |
5 | sodium phosphate | natural abundance | 5 mM | |
6 | sodium chloride | natural abundance | 50 mM |
Varian Uniform NMR System - 600 MHz equipped with salt tolerant cold probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-99% 15N] | 1.1 mM | |
2 | D2O | natural abundance | 10 % | |
3 | H2O | natural abundance | 90 % | |
4 | sodium azide | natural abundance | 0.05 % | |
5 | sodium phosphate | natural abundance | 5 mM | |
6 | sodium chloride | natural abundance | 50 mM |
Varian Uniform NMR System - 600 MHz equipped with salt tolerant cold probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-99% 15N] | 1.1 mM | |
2 | D2O | natural abundance | 10 % | |
3 | H2O | natural abundance | 90 % | |
4 | sodium azide | natural abundance | 0.05 % | |
5 | sodium phosphate | natural abundance | 5 mM | |
6 | sodium chloride | natural abundance | 50 mM |
Varian Uniform NMR System - 600 MHz equipped with salt tolerant cold probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-99% 15N] | 1.1 mM | |
2 | D2O | natural abundance | 10 % | |
3 | H2O | natural abundance | 90 % | |
4 | sodium azide | natural abundance | 0.05 % | |
5 | sodium phosphate | natural abundance | 5 mM | |
6 | sodium chloride | natural abundance | 50 mM |
Varian Uniform NMR System - 600 MHz equipped with salt tolerant cold probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-99% 15N] | 1.1 mM | |
2 | D2O | natural abundance | 10 % | |
3 | H2O | natural abundance | 90 % | |
4 | sodium azide | natural abundance | 0.05 % | |
5 | sodium phosphate | natural abundance | 5 mM | |
6 | sodium chloride | natural abundance | 50 mM |
Varian Uniform NMR System - 600 MHz equipped with salt tolerant cold probe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-99% 15N] | 1.1 mM | |
2 | D2O | natural abundance | 10 % | |
3 | H2O | natural abundance | 90 % | |
4 | sodium azide | natural abundance | 0.05 % | |
5 | sodium phosphate | natural abundance | 5 mM | |
6 | sodium chloride | natural abundance | 50 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints | combined_16297_2kiv.nef |
Input source #2: Coordindates | 2kiv.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------- MHHHHHHLVPRGSVQTVGQWLESIGLPQYENHLMANGFDNVQAMGSNVMEDQDLLEIGILNSGHRQRILQAIQLLPKMRPIGHDGAHPTSVAEWLDSIEL |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MHHHHHHLVPRGSVQTVGQWLESIGLPQYENHLMANGFDNVQAMGSNVMEDQDLLEIGILNSGHRQRILQAIQLLPKMRPIGHDGAHPTSVAEWLDSIEL --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -90-------100-------110-------120-------130----- GDYTKAFLINGYTSMDLLKKIAEVELINVLKINLIGHRKRILASLGDR |||||||||||||||||||||||||||||||||||||||||||||||| GDYTKAFLINGYTSMDLLKKIAEVELINVLKINLIGHRKRILASLGDR -------110-------120-------130-------140--------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 148 | 0 | 0 | 100.0 |
Content subtype: combined_16297_2kiv.nef
Assigned chemical shifts
---------------------10--------20--------30--------40--------50--------60--------70--------80------- MHHHHHHLVPRGSVQTVGQWLESIGLPQYENHLMANGFDNVQAMGSNVMEDQDLLEIGILNSGHRQRILQAIQLLPKMRPIGHDGAHPTSVAEWLDSIEL |||||||||||||||||||||||||||||||| | |||||||||||| ||||||||||||||||||||||||| ||||||||||| .............VQTVGQWLESIGLPQYENHLMANGFDNVQAMG.N.MEDQDLLEIGIL..GHRQRILQAIQLLPKMRPIGHDGAH..SVAEWLDSIEL -90-------100-------110-------120-------130----- GDYTKAFLINGYTSMDLLKKIAEVELINVLKINLIGHRKRILASLGDR |||||||||||||||||| ||||||||||||||||||||||||||||| GDYTKAFLINGYTSMDLL.KIAEVELINVLKINLIGHRKRILASLGDR
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 902 | 615 | 68.2 |
13C chemical shifts | 674 | 501 | 74.3 |
15N chemical shifts | 168 | 121 | 72.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 304 | 239 | 78.6 |
13C chemical shifts | 296 | 238 | 80.4 |
15N chemical shifts | 143 | 113 | 79.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 598 | 376 | 62.9 |
13C chemical shifts | 378 | 263 | 69.6 |
15N chemical shifts | 25 | 8 | 32.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 100 | 88 | 88.0 |
13C chemical shifts | 100 | 87 | 87.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 56 | 30 | 53.6 |
13C chemical shifts | 54 | 28 | 51.9 |
15N chemical shifts | 2 | 2 | 100.0 |
Distance restraints
---------------------10--------20--------30--------40--------50--------60--------70--------80------- MHHHHHHLVPRGSVQTVGQWLESIGLPQYENHLMANGFDNVQAMGSNVMEDQDLLEIGILNSGHRQRILQAIQLLPKMRPIGHDGAHPTSVAEWLDSIEL |||||||||||||||||||||||||||||||| |||||||||||| |||||||||||||||| || ||||||||||| .............VQTVGQWLESIGLPQYENHLMANGFDNVQAMG...MEDQDLLEIGIL...HRQRILQAIQLLPKMR.IG.......SVAEWLDSIEL ---------------------10--------20--------30--------40--------50--------60--------70--------80------- -90-------100-------110-------120-------130----- GDYTKAFLINGYTSMDLLKKIAEVELINVLKINLIGHRKRILASLGDR |||||||||||||||||| ||| |||||||||||||||||||||||| GDYTKAFLINGYTSMDLL.KIA.VELINVLKINLIGHRKRILASLGD -90-------100-------110-------120-------130----
---------------------10--------20--------30--------40--------50--------60--------70--------80------- MHHHHHHLVPRGSVQTVGQWLESIGLPQYENHLMANGFDNVQAMGSNVMEDQDLLEIGILNSGHRQRILQAIQLLPKMRPIGHDGAHPTSVAEWLDSIEL |||||||||| ||||||||||||||||| |||||||| |||||||||||| ||| ||| ...............TVGQWLESIG...YENHLMANGFDNVQAMG....EDQDLLEI......HRQRILQAIQLL..............SVA.WLD.... ---------------------10--------20--------30--------40--------50--------60--------70--------80------- -90-------100-------110-------120-------130----- GDYTKAFLINGYTSMDLLKKIAEVELINVLKINLIGHRKRILASLGDR |||||||||||| |||||| ||||||||| ||||||||||||| GDYTKAFLINGY..MDLLKK.AEVELINVL...LIGHRKRILASLG -90-------100-------110-------120-------130---