Solution structure of the full length sorting nexin 3
MAHHHHHHVG TAETVADTRR LITKPQNLND AYGPPSNFLE IDVSNPQTVG VGRGRFTTYE IRVKTNLPIF KLKESTVRRR YSDFEWLRSE LERESKVVVP PLPGKAFLRQ LPFRGDDGIF DDNFIEERKQ GLEQFINKVA GHPLAQNERC LHMFLQDEII DKSYTPSKIR HA
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 90.5 % (1873 of 2069) | 91.1 % (990 of 1087) | 89.2 % (718 of 805) | 93.2 % (165 of 177) |
Backbone | 93.3 % (942 of 1010) | 93.3 % (320 of 343) | 93.3 % (472 of 506) | 93.2 % (150 of 161) |
Sidechain | 88.7 % (1083 of 1221) | 90.1 % (670 of 744) | 86.3 % (398 of 461) | 93.8 % (15 of 16) |
Aromatic | 61.7 % (111 of 180) | 74.4 % (67 of 90) | 48.3 % (43 of 89) | 100.0 % (1 of 1) |
Methyl | 98.9 % (174 of 176) | 98.9 % (87 of 88) | 98.9 % (87 of 88) |
1. SNX3FL
MAHHHHHHVG TAETVADTRR LITKPQNLND AYGPPSNFLE IDVSNPQTVG VGRGRFTTYE IRVKTNLPIF KLKESTVRRR YSDFEWLRSE LERESKVVVP PLPGKAFLRQ LPFRGDDGIF DDNFIEERKQ GLEQFINKVA GHPLAQNERC LHMFLQDEII DKSYTPSKIR HASolvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SNX3FL | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | NaCl | natural abundance | 100 mM | |
3 | Sodium phosphate | natural abundance | 20 mM |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | HDO | H | 4.763 ppm | internal | indirect | 0.2514495 |
1H | HDO | H | 4.763 ppm | internal | indirect | 1.0 |
15N | HDO | H | 4.763 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | HDO | H | 4.763 ppm | internal | indirect | 0.2514495 |
1H | HDO | H | 4.763 ppm | internal | indirect | 1.0 |
15N | HDO | H | 4.763 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | HDO | H | 4.763 ppm | internal | indirect | 0.2514495 |
1H | HDO | H | 4.763 ppm | internal | indirect | 1.0 |
15N | HDO | H | 4.763 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | HDO | H | 4.763 ppm | internal | indirect | 0.2514495 |
1H | HDO | H | 4.763 ppm | internal | indirect | 1.0 |
15N | HDO | H | 4.763 ppm | internal | indirect | 0.1013291 |
Varian UnityInova - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SNX3FL | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | NaCl | natural abundance | 100 mM | |
3 | Sodium phosphate | natural abundance | 20 mM |
Varian UnityInova - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SNX3FL | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | NaCl | natural abundance | 100 mM | |
3 | Sodium phosphate | natural abundance | 20 mM |
Varian UnityInova - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SNX3FL | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | NaCl | natural abundance | 100 mM | |
3 | Sodium phosphate | natural abundance | 20 mM |
Varian UnityInova - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SNX3FL | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | NaCl | natural abundance | 100 mM | |
3 | Sodium phosphate | natural abundance | 20 mM |
Varian UnityInova - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SNX3FL | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | NaCl | natural abundance | 100 mM | |
3 | Sodium phosphate | natural abundance | 20 mM |
Varian UnityInova - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SNX3FL | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | NaCl | natural abundance | 100 mM | |
3 | Sodium phosphate | natural abundance | 20 mM |
Varian UnityInova - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SNX3FL | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | NaCl | natural abundance | 100 mM | |
3 | Sodium phosphate | natural abundance | 20 mM |
Varian UnityInova - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SNX3FL | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | NaCl | natural abundance | 100 mM | |
3 | Sodium phosphate | natural abundance | 20 mM |
Varian UnityInova - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SNX3FL | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | NaCl | natural abundance | 100 mM | |
3 | Sodium phosphate | natural abundance | 20 mM |
Varian UnityInova - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SNX3FL | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | NaCl | natural abundance | 100 mM | |
3 | Sodium phosphate | natural abundance | 20 mM |
Varian UnityInova - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SNX3FL | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | NaCl | natural abundance | 100 mM | |
3 | Sodium phosphate | natural abundance | 20 mM |
Varian UnityInova - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SNX3FL | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | NaCl | natural abundance | 100 mM | |
3 | Sodium phosphate | natural abundance | 20 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_25402_2mxc.nef |
Input source #2: Coordindates | 2mxc.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 MAHHHHHHVGTAETVADTRRLITKPQNLNDAYGPPSNFLEIDVSNPQTVGVGRGRFTTYEIRVKTNLPIFKLKESTVRRRYSDFEWLRSELERESKVVVP |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MAHHHHHHVGTAETVADTRRLITKPQNLNDAYGPPSNFLEIDVSNPQTVGVGRGRFTTYEIRVKTNLPIFKLKESTVRRRYSDFEWLRSELERESKVVVP --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------100-------110-------120-------130-------140-------150-------160-- PLPGKAFLRQLPFRGDDGIFDDNFIEERKQGLEQFINKVAGHPLAQNERCLHMFLQDEIIDKSYTPSKIRHA |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| PLPGKAFLRQLPFRGDDGIFDDNFIEERKQGLEQFINKVAGHPLAQNERCLHMFLQDEIIDKSYTPSKIRHA -------110-------120-------130-------140-------150-------160-------170--
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 172 | 0 | 0 | 100.0 |
Content subtype: combined_25402_2mxc.nef
Assigned chemical shifts
------------------10--------20--------30--------40--------50--------60--------70--------80--------90 MAHHHHHHVGTAETVADTRRLITKPQNLNDAYGPPSNFLEIDVSNPQTVGVGRGRFTTYEIRVKTNLPIFKLKESTVRRRYSDFEWLRSELERESKVVVP |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ........VGTAETVADTRRLITKPQNLNDAYGPPSNFLEIDVSNPQTVGVGRGRFTTYEIRVKTNLPIFKLKESTVRRRYSDFEWLRSELERESKVVVP -------100-------110-------120-------130-------140-------150-------160-- PLPGKAFLRQLPFRGDDGIFDDNFIEERKQGLEQFINKVAGHPLAQNERCLHMFLQDEIIDKSYTPSKIRHA |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| PLPGKAFLRQLPFRGDDGIFDDNFIEERKQGLEQFINKVAGHPLAQNERCLHMFLQDEIIDKSYTPSKIRHA
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
16 | GLN | CD | 180.714 |
17 | ASN | CG | 177.335 |
19 | ASN | CG | 177.287 |
27 | ASN | CG | 176.719 |
35 | ASN | CG | 177.972 |
37 | GLN | CD | 180.483 |
56 | ASN | CG | 177.342 |
113 | ASN | CG | 176.871 |
120 | GLN | CD | 180.394 |
124 | GLN | CD | 180.333 |
137 | ASN | CG | 176.869 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 1087 | 1001 | 92.1 |
13C chemical shifts | 805 | 718 | 89.2 |
15N chemical shifts | 192 | 165 | 85.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 343 | 324 | 94.5 |
13C chemical shifts | 344 | 320 | 93.0 |
15N chemical shifts | 161 | 150 | 93.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 744 | 677 | 91.0 |
13C chemical shifts | 461 | 398 | 86.3 |
15N chemical shifts | 31 | 15 | 48.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 90 | 88 | 97.8 |
13C chemical shifts | 90 | 88 | 97.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 90 | 69 | 76.7 |
13C chemical shifts | 89 | 43 | 48.3 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
------------------10--------20--------30--------40--------50--------60--------70--------80--------90 MAHHHHHHVGTAETVADTRRLITKPQNLNDAYGPPSNFLEIDVSNPQTVGVGRGRFTTYEIRVKTNLPIFKLKESTVRRRYSDFEWLRSELERESKVVVP |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ........VGTAETVADTRRLITKPQNLNDAYGPPSNFLEIDVSNPQTVGVGRGRFTTYEIRVKTNLPIFKLKESTVRRRYSDFEWLRSELERESKVVVP -------100-------110-------120-------130-------140-------150-------160-- PLPGKAFLRQLPFRGDDGIFDDNFIEERKQGLEQFINKVAGHPLAQNERCLHMFLQDEIIDKSYTPSKIRHA |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| PLPGKAFLRQLPFRGDDGIFDDNFIEERKQGLEQFINKVAGHPLAQNERCLHMFLQDEIIDKSYTPSKIRHA
Dihedral angle restraints
------------------10--------20--------30--------40--------50--------60--------70--------80--------90 MAHHHHHHVGTAETVADTRRLITKPQNLNDAYGPPSNFLEIDVSNPQTVGVGRGRFTTYEIRVKTNLPIFKLKESTVRRRYSDFEWLRSELERESKVVVP |||||||||||||||||||||||||||||||||| |||||||||||||||||||||| ||| ....................................NFLEIDVSNPQTVGVGRGRFTTYEIRVKTNLPIF..KESTVRRRYSDFEWLRSELERE...VVP ------------------10--------20--------30--------40--------50--------60--------70--------80--------90 -------100-------110-------120-------130-------140-------150-------160-- PLPGKAFLRQLPFRGDDGIFDDNFIEERKQGLEQFINKVAGHPLAQNERCLHMFLQDEIIDKSYTPSKIRHA |||| |||||||||||||||||||||||||||||||||||| |||||||| PLPG................DDNFIEERKQGLEQFINKVAGHPLAQNERCLHMFLQ..IIDKSYTP -------100-------110-------120-------130-------140-------150------