PltL-holo
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 96.2 % (1024 of 1065) | 96.6 % (538 of 557) | 95.4 % (396 of 415) | 96.8 % (90 of 93) |
Backbone | 97.0 % (518 of 534) | 97.3 % (177 of 182) | 97.0 % (257 of 265) | 96.6 % (84 of 87) |
Sidechain | 95.8 % (590 of 616) | 96.3 % (361 of 375) | 94.9 % (223 of 235) | 100.0 % (6 of 6) |
Aromatic | 80.0 % (40 of 50) | 96.0 % (24 of 25) | 62.5 % (15 of 24) | 100.0 % (1 of 1) |
Methyl | 100.0 % (108 of 108) | 100.0 % (54 of 54) | 100.0 % (54 of 54) |
1. entity 1
MDGEEVKEKI RRYIMEDLIG PSAKEDELDD QTPLLEWGIL NSMNIVKLMV YIRDEMGVSI PSTHITGKYF KDLNAISRTV EQLKAESALESolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 50 mM | |
2 | TCEP | natural abundance | 5 mM | |
3 | sodium azide | natural abundance | 0.1 % | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian VS 500 - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 50 mM | |
2 | TCEP | natural abundance | 5 mM | |
3 | sodium azide | natural abundance | 0.1 % | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian VS 500 - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 50 mM | |
2 | TCEP | natural abundance | 5 mM | |
3 | sodium azide | natural abundance | 0.1 % | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian VS 500 - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 50 mM | |
2 | TCEP | natural abundance | 5 mM | |
3 | sodium azide | natural abundance | 0.1 % | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian VS 500 - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 50 mM | |
2 | TCEP | natural abundance | 5 mM | |
3 | sodium azide | natural abundance | 0.1 % | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian VS 500 - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 50 mM | |
2 | TCEP | natural abundance | 5 mM | |
3 | sodium azide | natural abundance | 0.1 % | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian VS 500 - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 50 mM | |
2 | TCEP | natural abundance | 5 mM | |
3 | sodium azide | natural abundance | 0.1 % | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian VS 500 - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 50 mM | |
2 | TCEP | natural abundance | 5 mM | |
3 | sodium azide | natural abundance | 0.1 % | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian VS 500 - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 50 mM | |
2 | TCEP | natural abundance | 5 mM | |
3 | sodium azide | natural abundance | 0.1 % | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian VS 500 - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 50 mM | |
2 | TCEP | natural abundance | 5 mM | |
3 | sodium azide | natural abundance | 0.1 % | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian VS 500 - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | potassium phosphate | natural abundance | 50 mM | |
2 | TCEP | natural abundance | 5 mM | |
3 | sodium azide | natural abundance | 0.1 % | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints | combined_25716_2n5h.nef |
Input source #2: Coordindates | 2n5h.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…) |
---|---|---|---|---|
1:42:SER:OG | 2:1:PNS:P24 | unknown | unknown | n/a |
Non-standard residues
Chain_ID | Seq_ID | Comp_ID | Chem_comp_name | Experimental evidences |
---|---|---|---|---|
B | 1 | PNS | 4'-PHOSPHOPANTETHEINE | Assigned chemical shifts |
Sequence alignments
--------10--------20--------30--------40--------50--------60--------70--------80--------90 MDGEEVKEKIRRYIMEDLIGPSAKEDELDDQTPLLEWGILNSMNIVKLMVYIRDEMGVSIPSTHITGKYFKDLNAISRTVEQLKAESALE |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MDGEEVKEKIRRYIMEDLIGPSAKEDELDDQTPLLEWGILNSMNIVKLMVYIRDEMGVSIPSTHITGKYFKDLNAISRTVEQLKAESALE
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 90 | 0 | 0 | 100.0 |
Content subtype: combined_25716_2n5h.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90 MDGEEVKEKIRRYIMEDLIGPSAKEDELDDQTPLLEWGILNSMNIVKLMVYIRDEMGVSIPSTHITGKYFKDLNAISRTVEQLKAESALE ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .DGEEVKEKIRRYIMEDLIGPSAKEDELDDQTPLLEWGILNSMNIVKLMVYIRDEMGVSIPSTHITGKYFKDLNAISRTVEQLKAESALE
- X | X
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
11 | ARG | HH11 | 7.629 |
11 | ARG | HH12 | 7.744 |
12 | ARG | HH11 | 7.502 |
12 | ARG | HH12 | 7.608 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 557 | 544 | 97.7 |
13C chemical shifts | 415 | 394 | 94.9 |
15N chemical shifts | 97 | 90 | 92.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 182 | 178 | 97.8 |
13C chemical shifts | 180 | 171 | 95.0 |
15N chemical shifts | 87 | 84 | 96.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 375 | 366 | 97.6 |
13C chemical shifts | 235 | 223 | 94.9 |
15N chemical shifts | 10 | 6 | 60.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 59 | 58 | 98.3 |
13C chemical shifts | 59 | 58 | 98.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 25 | 24 | 96.0 |
13C chemical shifts | 24 | 15 | 62.5 |
15N chemical shifts | 1 | 1 | 100.0 |
Comp_index_ID | Comp_ID |
---|---|
1 | PNS |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|
Covalent bonds
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90 MDGEEVKEKIRRYIMEDLIGPSAKEDELDDQTPLLEWGILNSMNIVKLMVYIRDEMGVSIPSTHITGKYFKDLNAISRTVEQLKAESALE ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .DGEEVKEKIRRYIMEDLIGPSAKEDELDDQTPLLEWGILNSMNIVKLMVYIRDEMGVSIPSTHITGKYFKDLNAISRTVEQLKAESALE