TDRD3 complex
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 61.9 % (523 of 845) | 66.1 % (291 of 440) | 53.4 % (179 of 335) | 75.7 % (53 of 70) |
Backbone | 63.5 % (259 of 408) | 78.1 % (107 of 137) | 48.8 % (101 of 207) | 79.7 % (51 of 64) |
Sidechain | 61.9 % (312 of 504) | 60.7 % (184 of 303) | 64.6 % (126 of 195) | 33.3 % (2 of 6) |
Aromatic | 70.8 % (75 of 106) | 71.7 % (38 of 53) | 68.6 % (35 of 51) | 100.0 % (2 of 2) |
Methyl | 90.0 % (54 of 60) | 90.0 % (27 of 30) | 90.0 % (27 of 30) |
1. entity 1
MKMWKPGDEC FALYWEDNKF YRAEVEALHS SGMTAVVKFI DYGNYEEVLL SNIKPILE2. TDRD3 2
YSPSSPXYTP QSPSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 K, pH 8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TDRD3_1 | [U-99% 13C; U-99% 15N] | 1.7 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | beta-mercaptoethanol | natural abundance | 10 mM | |
4 | sodium chloride | natural abundance | 150 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | TMS | methyl carbons | 0.0 ppm | external | direct | 1.0 |
1H | water | protons | 4.7 ppm | internal | direct | 1.0 |
15N | nitromethane | nitrogen | 0.0 ppm | external | direct | 1.0 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | TMS | methyl carbons | 0.0 ppm | external | direct | 1.0 |
1H | water | protons | 4.7 ppm | internal | direct | 1.0 |
15N | nitromethane | nitrogen | 0.0 ppm | external | direct | 1.0 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | TMS | methyl carbons | 0.0 ppm | external | direct | 1.0 |
1H | water | protons | 4.7 ppm | internal | direct | 1.0 |
15N | nitromethane | nitrogen | 0.0 ppm | external | direct | 1.0 |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 K, pH 8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TDRD3_1 | [U-99% 13C; U-99% 15N] | 1.7 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | beta-mercaptoethanol | natural abundance | 10 mM | |
4 | sodium chloride | natural abundance | 150 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 K, pH 8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TDRD3_1 | [U-99% 13C; U-99% 15N] | 1.7 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | beta-mercaptoethanol | natural abundance | 10 mM | |
4 | sodium chloride | natural abundance | 150 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 K, pH 8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TDRD3_1 | [U-99% 13C; U-99% 15N] | 1.7 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | beta-mercaptoethanol | natural abundance | 10 mM | |
4 | sodium chloride | natural abundance | 150 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 K, pH 8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TDRD3_1 | [U-99% 13C; U-99% 15N] | 1.7 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | beta-mercaptoethanol | natural abundance | 10 mM | |
4 | sodium chloride | natural abundance | 150 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 K, pH 8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TDRD3_1 | [U-99% 13C; U-99% 15N] | 1.7 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | beta-mercaptoethanol | natural abundance | 10 mM | |
4 | sodium chloride | natural abundance | 150 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293.15 K, pH 8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TDRD3_1 | [U-99% 13C; U-99% 15N] | 1.7 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | beta-mercaptoethanol | natural abundance | 10 mM | |
4 | sodium chloride | natural abundance | 150 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints | combined_18490_2lto.nef |
Input source #2: Coordindates | 2lto.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 | True (see coodinates for details) |
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)
Ptnr_site_1 | Ptnr_site_2 | Redox_state_prediction_1 | Redox_state_prediction_2 | Distance (Ã…) |
---|---|---|---|---|
2:6:PRO:C | 2:7:DA2:N | unknown | unknown | n/a |
2:7:DA2:C | 2:8:TYR:N | unknown | unknown | n/a |
Non-standard residues
Chain_ID | Seq_ID | Comp_ID | Chem_comp_name | Experimental evidences |
---|---|---|---|---|
B | 617 | DA2 | NG,NG-DIMETHYL-L-ARGININE | Coordinates |
Sequence alignments
-----560-------570-------580-------590-------600-------610 MKMWKPGDECFALYWEDNKFYRAEVEALHSSGMTAVVKFIDYGNYEEVLLSNIKPILE |||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MKMWKPGDECFALYWEDNKFYRAEVEALHSSGMTAVVKFIDYGNYEEVLLSNIKPILE --------10--------20--------30--------40--------50--------
-------620--- YSPSSPXYTPQSP ||||||||||||| YSPSSPXYTPQSP --------10---
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 58 | 0 | 0 | 100.0 |
B | B | 13 | 0 | 0 | 100.0 |
Content subtype: combined_18490_2lto.nef
Assigned chemical shifts
-----560-------570-------580-------590-------600-------610 MKMWKPGDECFALYWEDNKFYRAEVEALHSSGMTAVVKFIDYGNYEEVLLSNIKPILE ||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MKMWKPGDECFALYWEDNKFYRAEVEALHSSGMTAVVKFIDYGNYEEVLLSNIKPIL -----560-------570-------580-------590-------600---------
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 368 | 290 | 78.8 |
13C chemical shifts | 281 | 176 | 62.6 |
15N chemical shifts | 62 | 53 | 85.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 117 | 106 | 90.6 |
13C chemical shifts | 116 | 51 | 44.0 |
15N chemical shifts | 56 | 51 | 91.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 251 | 184 | 73.3 |
13C chemical shifts | 165 | 125 | 75.8 |
15N chemical shifts | 6 | 2 | 33.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 32 | 28 | 87.5 |
13C chemical shifts | 32 | 28 | 87.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 45 | 38 | 84.4 |
13C chemical shifts | 43 | 35 | 81.4 |
15N chemical shifts | 2 | 2 | 100.0 |
Covalent bonds
Distance restraints
-----560-------570-------580-------590-------600-------610 MKMWKPGDECFALYWEDNKFYRAEVEALHSSGMTAVVKFIDYGNYEEVLLSNIKPILE |||||||||||||||||||||||||| | ||||||||||||||||||||||||| ...WKPGDECFALYWEDNKFYRAEVEALH.S.MTAVVKFIDYGNYEEVLLSNIKPIL -----560-------570-------580-------590-------600---------