Chemical Shift Assignment and Solution Structure of ChR145 from Drosophila melanogaster. Northeast Structural Genomics Consortium Target Fr822A
MNYSTGTDAN TLFVDGERVL CFHGPLIYEA KVLKTKPDAT PVEYYIHYAG WSKNWDEWVP ENRVLKYNDD NVKRRQELAR QCGERMNYST GTDANTLFVD GERVLCFHGP LIYEAKVLKT KPDATPVEYY IHYAGWSKNW DEWVPENRVL KYNDDNVKRR QELARQCGER
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 44.2 % (900 of 2038) | 43.2 % (460 of 1064) | 44.2 % (349 of 790) | 49.5 % (91 of 184) |
Backbone | 50.7 % (509 of 1004) | 51.2 % (175 of 342) | 49.4 % (247 of 500) | 53.7 % (87 of 162) |
Sidechain | 39.7 % (474 of 1194) | 39.6 % (286 of 722) | 40.9 % (184 of 450) | 18.2 % (4 of 22) |
Aromatic | 29.0 % (65 of 224) | 35.7 % (40 of 112) | 20.8 % (22 of 106) | 50.0 % (3 of 6) |
Methyl | 50.0 % (80 of 160) | 50.0 % (40 of 80) | 50.0 % (40 of 80) |
1. Fr822A
MNYSTGTDAN TLFVDGERVL CFHGPLIYEA KVLKTKPDAT PVEYYIHYAG WSKNWDEWVP ENRVLKYNDD NVKRRQELAR QCGERMNYST GTDANTLFVD GERVLCFHGP LIYEAKVLKT KPDATPVEYY IHYAGWSKNW DEWVPENRVL KYNDDNVKRR QELARQCGERSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Fr822A | [U-100% 13C; U-100% 15N] | 0.9 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 200 mM | |
4 | DTT | natural abundance | 5 mM |
Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details Phage sample for RDC
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | Fr822A | [U-100% 15N] | 0.9 mM | |
6 | sodium phosphate | natural abundance | 20 mM | |
7 | sodium chloride | natural abundance | 200 mM | |
8 | Pf1 phage | natural abundance | 12 mg | |
9 | DTT | natural abundance | 5 mM |
Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details C12E5 sample for RDC
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
10 | Fr822A | [U-100% 15N] | 0.9 mM | |
11 | sodium phosphate | natural abundance | 20 mM | |
12 | sodium chloride | natural abundance | 200 mM | |
13 | C12E5 | natural abundance | 4.2 % | |
14 | DTT | natural abundance | 5 mM |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Varian INOVA - 600 MHz Equipped with cold probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Fr822A | [U-100% 13C; U-100% 15N] | 0.9 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 200 mM | |
4 | DTT | natural abundance | 5 mM |
Varian INOVA - 600 MHz Equipped with cold probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Fr822A | [U-100% 13C; U-100% 15N] | 0.9 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 200 mM | |
4 | DTT | natural abundance | 5 mM |
Varian INOVA - 600 MHz Equipped with cold probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Fr822A | [U-100% 13C; U-100% 15N] | 0.9 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 200 mM | |
4 | DTT | natural abundance | 5 mM |
Varian INOVA - 600 MHz Equipped with cold probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Fr822A | [U-100% 13C; U-100% 15N] | 0.9 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 200 mM | |
4 | DTT | natural abundance | 5 mM |
Varian INOVA - 600 MHz Equipped with cold probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Fr822A | [U-100% 13C; U-100% 15N] | 0.9 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 200 mM | |
4 | DTT | natural abundance | 5 mM |
Varian INOVA - 600 MHz Equipped with cold probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Fr822A | [U-100% 13C; U-100% 15N] | 0.9 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 200 mM | |
4 | DTT | natural abundance | 5 mM |
Varian INOVA - 600 MHz Equipped with cold probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Fr822A | [U-100% 13C; U-100% 15N] | 0.9 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 200 mM | |
4 | DTT | natural abundance | 5 mM |
Varian INOVA - 600 MHz Equipped with cold probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Fr822A | [U-100% 13C; U-100% 15N] | 0.9 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 200 mM | |
4 | DTT | natural abundance | 5 mM |
Varian INOVA - 600 MHz Equipped with cold probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Fr822A | [U-100% 13C; U-100% 15N] | 0.9 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 200 mM | |
4 | DTT | natural abundance | 5 mM |
Varian INOVA - 600 MHz Equipped with cold probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Fr822A | [U-100% 13C; U-100% 15N] | 0.9 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 200 mM | |
4 | DTT | natural abundance | 5 mM |
Varian INOVA - 600 MHz Equipped with cold probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Fr822A | [U-100% 13C; U-100% 15N] | 0.9 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 200 mM | |
4 | DTT | natural abundance | 5 mM |
Varian INOVA - 600 MHz Equipped with cold probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Fr822A | [U-100% 13C; U-100% 15N] | 0.9 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 200 mM | |
4 | DTT | natural abundance | 5 mM |
Varian INOVA - 600 MHz Equipped with cold probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Fr822A | [U-100% 13C; U-100% 15N] | 0.9 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 200 mM | |
4 | DTT | natural abundance | 5 mM |
Varian INOVA - 600 MHz Equipped with cold probe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Fr822A | [U-100% 13C; U-100% 15N] | 0.9 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 200 mM | |
4 | DTT | natural abundance | 5 mM |
Varian INOVA - 600 MHz Equipped with cold probe
State anisotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details Phage sample for RDC
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | Fr822A | [U-100% 15N] | 0.9 mM | |
6 | sodium phosphate | natural abundance | 20 mM | |
7 | sodium chloride | natural abundance | 200 mM | |
8 | Pf1 phage | natural abundance | 12 mg | |
9 | DTT | natural abundance | 5 mM |
Varian INOVA - 600 MHz Equipped with cold probe
State anisotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details C12E5 sample for RDC
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
10 | Fr822A | [U-100% 15N] | 0.9 mM | |
11 | sodium phosphate | natural abundance | 20 mM | |
12 | sodium chloride | natural abundance | 200 mM | |
13 | C12E5 | natural abundance | 4.2 % | |
14 | DTT | natural abundance | 5 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints | combined_18390_2lrq.nef |
Input source #2: Coordindates | 2lrq.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----- MNYSTGTDANTLFVDGERVLCFHGPLIYEAKVLKTKPDATPVEYYIHYAGWSKNWDEWVPENRVLKYNDDNVKRRQELARQCGER ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MNYSTGTDANTLFVDGERVLCFHGPLIYEAKVLKTKPDATPVEYYIHYAGWSKNWDEWVPENRVLKYNDDNVKRRQELARQCGER
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 85 | 0 | 0 | 100.0 |
Content subtype: combined_18390_2lrq.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80----- MNYSTGTDANTLFVDGERVLCFHGPLIYEAKVLKTKPDATPVEYYIHYAGWSKNWDEWVPENRVLKYNDDNVKRRQELARQCGER ||||||||||||||||||||||| ||||||||||||||||||||||||||| ||||||||||||||||||||||||||||||| MNYSTGTDANTLFVDGERVLCFH.PLIYEAKVLKTKPDATPVEYYIHYAGW.KNWDEWVPENRVLKYNDDNVKRRQELARQCG --------10--------20--------30--------40--------50--------60--------70--------80---
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 532 | 413 | 77.6 |
13C chemical shifts | 395 | 321 | 81.3 |
15N chemical shifts | 98 | 78 | 79.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 171 | 152 | 88.9 |
13C chemical shifts | 170 | 150 | 88.2 |
15N chemical shifts | 81 | 75 | 92.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 361 | 261 | 72.3 |
13C chemical shifts | 225 | 171 | 76.0 |
15N chemical shifts | 17 | 3 | 17.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 41 | 40 | 97.6 |
13C chemical shifts | 41 | 40 | 97.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 56 | 34 | 60.7 |
13C chemical shifts | 53 | 18 | 34.0 |
15N chemical shifts | 3 | 3 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80----- MNYSTGTDANTLFVDGERVLCFHGPLIYEAKVLKTKPDATPVEYYIHYAGWSKNWDEWVPENRVLKYNDDNVKRRQELARQCGER ||||||||||||||||||| |||||||||||||||||||||||||| ||||||||||||||||||||||||||||||| ....TGTDANTLFVDGERVLCFH..LIYEAKVLKTKPDATPVEYYIHYAGW.KNWDEWVPENRVLKYNDDNVKRRQELARQCG --------10--------20--------30--------40--------50--------60--------70--------80---
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80----- MNYSTGTDANTLFVDGERVLCFHGPLIYEAKVLKTKPDATPVEYYIHYAGWSKNWDEWVPENRVLKYNDDNVKRRQELARQCGER ||||||||||||| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .........NTLFVDGERVLCF...LIYEAKVLKTKPDATPVEYYIHYAGWSKNWDEWVPENRVLKYNDDNVKRRQELARQCG --------10--------20--------30--------40--------50--------60--------70--------80---
RDC restraints
--------10--------20--------30--------40--------50--------60--------70--------80----- MNYSTGTDANTLFVDGERVLCFHGPLIYEAKVLKTKPDATPVEYYIHYAGWSKNWDEWVPENRVLKYNDDNVKRRQELARQCGER ||||||||||| |||||||||| | ||||||| | | | | | ||||| |||||| |||| ............FVDGERVLCFH...IYEAKVLKTK...T..EYYIHYA.W..N.D..V.E.RVLKY..DNVKRR.ELAR --------10--------20--------30--------40--------50--------60--------70--------80
--------10--------20--------30--------40--------50--------60--------70--------80----- MNYSTGTDANTLFVDGERVLCFHGPLIYEAKVLKTKPDATPVEYYIHYAGWSKNWDEWVPENRVLKYNDDNVKRRQELARQCGER ||||||||||| | |||||||| | ||||||| | ||||||| | ||||| ||||||||||||| ............FVDGERVLCFH..L..EAKVLKTK.D....EYYIHYA.W.KNWDEWV.E.RVLKY.DDNVKRRQELARQ --------10--------20--------30--------40--------50--------60--------70--------80-