Chemical Shift Assignments of Retinal Degeneration 3 Protein (RD3)
ARSPAEMVLE TLMMELTGQM REAERQQRER SNAVRKVCTG VDYSWLASTP DSTYDLSPIE RLQLEDVCVK IHPSYCGPAI LRFRQLLAEQ EPEVQEVSQL FRSVLQEVLE RMKQEEEAHK LTRQWSLRPR GSLATFETEA EID
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 83.1 % (1401 of 1686) | 83.9 % (744 of 887) | 79.4 % (515 of 649) | 94.7 % (142 of 150) |
Backbone | 92.1 % (777 of 844) | 91.5 % (259 of 283) | 91.3 % (388 of 425) | 95.6 % (130 of 136) |
Sidechain | 76.6 % (751 of 981) | 80.3 % (485 of 604) | 70.0 % (254 of 363) | 85.7 % (12 of 14) |
Aromatic | 48.8 % (42 of 86) | 83.7 % (36 of 43) | 9.8 % (4 of 41) | 100.0 % (2 of 2) |
Methyl | 98.7 % (154 of 156) | 100.0 % (78 of 78) | 97.4 % (76 of 78) |
1. RD3
ARSPAEMVLE TLMMELTGQM REAERQQRER SNAVRKVCTG VDYSWLASTP DSTYDLSPIE RLQLEDVCVK IHPSYCGPAI LRFRQLLAEQ EPEVQEVSQL FRSVLQEVLE RMKQEEEAHK LTRQWSLRPR GSLATFETEA EIDSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TRIS | [U-99% 2H] | 5 mM | |
2 | DTT | [U-99% 2H] | 3 mM | |
3 | sodium azide | natural abundance | 0.04 % w/v | |
4 | EDTA | [U-99% 2H] | 50 uM | |
5 | RD3 | [U-99% 15N] | 0.9 mM |
Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | TRIS | [U-99% 2H] | 5 mM | |
7 | DTT | [U-99% 2H] | 3 mM | |
8 | sodium azide | natural abundance | 0.04 % w/v | |
9 | EDTA | [U-99% 2H] | 50 uM | |
10 | RD3 | [U-99% 13C; U-99% 15N] | 0.9 mM |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | water | protons | 4.795 ppm | internal | direct | 1.0 |
15N | water | protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | water | protons | 4.795 ppm | internal | direct | 1.0 |
15N | water | protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | water | protons | 4.795 ppm | internal | direct | 1.0 |
15N | water | protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | water | protons | 4.795 ppm | internal | direct | 1.0 |
15N | water | protons | 0.0 ppm | internal | indirect | 0.1013291 |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TRIS | [U-99% 2H] | 5 mM | |
2 | DTT | [U-99% 2H] | 3 mM | |
3 | sodium azide | natural abundance | 0.04 % w/v | |
4 | EDTA | [U-99% 2H] | 50 uM | |
5 | RD3 | [U-99% 15N] | 0.9 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | TRIS | [U-99% 2H] | 5 mM | |
7 | DTT | [U-99% 2H] | 3 mM | |
8 | sodium azide | natural abundance | 0.04 % w/v | |
9 | EDTA | [U-99% 2H] | 50 uM | |
10 | RD3 | [U-99% 13C; U-99% 15N] | 0.9 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | TRIS | [U-99% 2H] | 5 mM | |
7 | DTT | [U-99% 2H] | 3 mM | |
8 | sodium azide | natural abundance | 0.04 % w/v | |
9 | EDTA | [U-99% 2H] | 50 uM | |
10 | RD3 | [U-99% 13C; U-99% 15N] | 0.9 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | TRIS | [U-99% 2H] | 5 mM | |
7 | DTT | [U-99% 2H] | 3 mM | |
8 | sodium azide | natural abundance | 0.04 % w/v | |
9 | EDTA | [U-99% 2H] | 50 uM | |
10 | RD3 | [U-99% 13C; U-99% 15N] | 0.9 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | TRIS | [U-99% 2H] | 5 mM | |
7 | DTT | [U-99% 2H] | 3 mM | |
8 | sodium azide | natural abundance | 0.04 % w/v | |
9 | EDTA | [U-99% 2H] | 50 uM | |
10 | RD3 | [U-99% 13C; U-99% 15N] | 0.9 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | TRIS | [U-99% 2H] | 5 mM | |
7 | DTT | [U-99% 2H] | 3 mM | |
8 | sodium azide | natural abundance | 0.04 % w/v | |
9 | EDTA | [U-99% 2H] | 50 uM | |
10 | RD3 | [U-99% 13C; U-99% 15N] | 0.9 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | TRIS | [U-99% 2H] | 5 mM | |
7 | DTT | [U-99% 2H] | 3 mM | |
8 | sodium azide | natural abundance | 0.04 % w/v | |
9 | EDTA | [U-99% 2H] | 50 uM | |
10 | RD3 | [U-99% 13C; U-99% 15N] | 0.9 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | TRIS | [U-99% 2H] | 5 mM | |
7 | DTT | [U-99% 2H] | 3 mM | |
8 | sodium azide | natural abundance | 0.04 % w/v | |
9 | EDTA | [U-99% 2H] | 50 uM | |
10 | RD3 | [U-99% 13C; U-99% 15N] | 0.9 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TRIS | [U-99% 2H] | 5 mM | |
2 | DTT | [U-99% 2H] | 3 mM | |
3 | sodium azide | natural abundance | 0.04 % w/v | |
4 | EDTA | [U-99% 2H] | 50 uM | |
5 | RD3 | [U-99% 15N] | 0.9 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TRIS | [U-99% 2H] | 5 mM | |
2 | DTT | [U-99% 2H] | 3 mM | |
3 | sodium azide | natural abundance | 0.04 % w/v | |
4 | EDTA | [U-99% 2H] | 50 uM | |
5 | RD3 | [U-99% 15N] | 0.9 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | TRIS | [U-99% 2H] | 5 mM | |
7 | DTT | [U-99% 2H] | 3 mM | |
8 | sodium azide | natural abundance | 0.04 % w/v | |
9 | EDTA | [U-99% 2H] | 50 uM | |
10 | RD3 | [U-99% 13C; U-99% 15N] | 0.9 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | TRIS | [U-99% 2H] | 5 mM | |
7 | DTT | [U-99% 2H] | 3 mM | |
8 | sodium azide | natural abundance | 0.04 % w/v | |
9 | EDTA | [U-99% 2H] | 50 uM | |
10 | RD3 | [U-99% 13C; U-99% 15N] | 0.9 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | TRIS | [U-99% 2H] | 5 mM | |
7 | DTT | [U-99% 2H] | 3 mM | |
8 | sodium azide | natural abundance | 0.04 % w/v | |
9 | EDTA | [U-99% 2H] | 50 uM | |
10 | RD3 | [U-99% 13C; U-99% 15N] | 0.9 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints | combined_27305_6drf.nef |
Input source #2: Coordindates | 6drf.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
--20-------30--------40--------50--------60--------70--------80--------90-------100-------110------- ARSPAEMVLETLMMELTGQMREAERQQRERSNAVRKVCTGVDYSWLASTPDSTYDLSPIERLQLEDVCVKIHPSYCGPAILRFRQLLAEQEPEVQEVSQL |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ARSPAEMVLETLMMELTGQMREAERQQRERSNAVRKVCTGVDYSWLASTPDSTYDLSPIERLQLEDVCVKIHPSYCGPAILRFRQLLAEQEPEVQEVSQL --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 120-------130-------140-------150-------160 FRSVLQEVLERMKQEEEAHKLTRQWSLRPRGSLATFETEAEID ||||||||||||||||||||||||||||||||||||||||||| FRSVLQEVLERMKQEEEAHKLTRQWSLRPRGSLATFETEAEID -------110-------120-------130-------140---
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 143 | 0 | 0 | 100.0 |
Content subtype: combined_27305_6drf.nef
Assigned chemical shifts
--20-------30--------40--------50--------60--------70--------80--------90-------100-------110------- ARSPAEMVLETLMMELTGQMREAERQQRERSNAVRKVCTGVDYSWLASTPDSTYDLSPIERLQLEDVCVKIHPSYCGPAILRFRQLLAEQEPEVQEVSQL ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| |||||||||||||||||| ARSPAEMVLETLMMELTGQMREAERQQRERSNAVRKVCTGVDYSWLASTPDSTYDLSPIERLQLEDVCVKIHPSYCGPAIL.FRQLLAEQEPEVQEVSQL 120-------130-------140-------150-------160 FRSVLQEVLERMKQEEEAHKLTRQWSLRPRGSLATFETEAEID ||||||||||||||||||||||||||||||||||||||||||| FRSVLQEVLERMKQEEEAHKLTRQWSLRPRGSLATFETEAEID
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
36 | GLN | CD | 178.865 |
49 | ASN | CG | 176.582 |
62 | TRP | CE2 | 138.925 |
80 | GLN | CD | 179.976 |
102 | GLN | CD | 180.191 |
107 | GLN | CD | 179.034 |
112 | GLN | CD | 180.275 |
116 | GLN | CD | 180.047 |
123 | GLN | CD | 179.716 |
128 | ARG | CZ | 159.496 |
141 | GLN | CD | 180.094 |
142 | TRP | CE2 | 138.916 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 887 | 743 | 83.8 |
13C chemical shifts | 649 | 509 | 78.4 |
15N chemical shifts | 164 | 142 | 86.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 283 | 261 | 92.2 |
13C chemical shifts | 286 | 261 | 91.3 |
15N chemical shifts | 136 | 128 | 94.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 604 | 482 | 79.8 |
13C chemical shifts | 363 | 248 | 68.3 |
15N chemical shifts | 28 | 14 | 50.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 83 | 83 | 100.0 |
13C chemical shifts | 83 | 81 | 97.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 43 | 36 | 83.7 |
13C chemical shifts | 41 | 4 | 9.8 |
15N chemical shifts | 2 | 2 | 100.0 |
Distance restraints
--20-------30--------40--------50--------60--------70--------80--------90-------100-------110------- ARSPAEMVLETLMMELTGQMREAERQQRERSNAVRKVCTGVDYSWLASTPDSTYDLSPIERLQLEDVCVKIHPSYCGPAILRFRQLLAEQEPEVQEVSQL ||||||||||||||||||||||| |||||||||| | | |||||||||||||||||||||||||||||||| |||| |||||||||||||||||||||| .RSPAEMVLETLMMELTGQMREAE.QQRERSNAVR.V.T.VDYSWLASTPDSTYDLSPIERLQLEDVCVKIH.SYCG.AILRFRQLLAEQEPEVQEVSQL 120-------130-------140-------150-------160 FRSVLQEVLERMKQEEEAHKLTRQWSLRPRGSLATFETEAEID ||||||||| |||| |||| |||||||||| ||||||||||| FRSVLQEVL.RMKQ.EEAH.LTRQWSLRPR..LATFETEAEID
--20-------30--------40--------50--------60--------70--------80--------90-------100-------110------- ARSPAEMVLETLMMELTGQMREAERQQRERSNAVRKVCTGVDYSWLASTPDSTYDLSPIERLQLEDVCVKIHPSYCGPAILRFRQLLAEQEPEVQEVSQL |||||||||||||||||||||||||||||| ||||||||||||| |||||||||||||||| ||||||| ....AEMVLETLMMELTGQMREAERQQRERSNAV.......................PIERLQLEDVCVK....YCGPAILRFRQLLAEQ...VQEVSQL --20-------30--------40--------50--------60--------70--------80--------90-------100-------110------- 120-------130-------140-------150-------160 FRSVLQEVLERMKQEEEAHKLTRQWSLRPRGSLATFETEAEID |||||||||||||||||||||| FRSVLQEVLERMKQEEEAHKLT 120-------130---------
Dihedral angle restraints
--20-------30--------40--------50--------60--------70--------80--------90-------100-------110------- ARSPAEMVLETLMMELTGQMREAERQQRERSNAVRKVCTGVDYSWLASTPDSTYDLSPIERLQLEDVCVKIHPSYCGPAILRFRQLLAEQEPEVQEVSQL ||||||||||||||||||||||||| ||||||| |||||||||||||||||||||||||||||||| ||||||||||||||| ARSPAEMVLETLMMELTGQMREAER..RERSNAV................DSTYDLSPIERLQLEDVCVKIHPSYCGPAILR...LLAEQEPEVQEVSQL --20-------30--------40--------50--------60--------70--------80--------90-------100-------110------- 120-------130-------140-------150-------160 FRSVLQEVLERMKQEEEAHKLTRQWSLRPRGSLATFETEAEID ||||||||||||||||||||||| FRSVLQEVLERMKQEEEAHKLTR 120-------130-------140
RDC restraints
--20-------30--------40--------50--------60--------70--------80--------90-------100-------110------- ARSPAEMVLETLMMELTGQMREAERQQRERSNAVRKVCTGVDYSWLASTPDSTYDLSPIERLQLEDVCVKIHPSYCGPAILRFRQLLAEQEPEVQEVSQL | |||| ||||| ||||||||| ||||| |||||||||||||| |||| ||| ||||| ||| |||| ..S.AEMV.ETLMM.LTGQMREAE.....RSNAV........................IERLQLEDVCVKIH.SYCG.AIL....LLAEQ..EVQ.VSQL --20-------30--------40--------50--------60--------70--------80--------90-------100-------110------- 120-------130-------140-------150-------160 FRSVLQEVLERMKQEEEAHKLTRQWSLRPRGSLATFETEAEID ||||||| | | ||| | || FRSVLQE.L..M..EEE.H.LT 120-------130---------