E.coli Sigma factor S (RpoS) Region 4
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 98.0 % (1014 of 1035) | 96.9 % (529 of 546) | 99.0 % (390 of 394) | 100.0 % (95 of 95) |
Backbone | 99.0 % (509 of 514) | 98.9 % (176 of 178) | 98.8 % (248 of 251) | 100.0 % (85 of 85) |
Sidechain | 97.3 % (584 of 600) | 95.9 % (353 of 368) | 99.5 % (221 of 222) | 100.0 % (10 of 10) |
Aromatic | 96.0 % (48 of 50) | 96.0 % (24 of 25) | 95.8 % (23 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
GPEDTTQDDD MKQSIVKWLF ELNAKQREVL ARRFGLLGYE AATLEDVGRE IGLTRERVRQ IQVEGLRRLR EILQTQGLNI EALFRESolvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 1 mM [U-99% 13C; U-99% 15N] E.coli Sigma factor S region 4, 93% H2O/7% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | E.coli Sigma factor S region 4 | [U-99% 13C; U-99% 15N] | 1 (±0.1) mM |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.78 ppm | internal | indirect | 0.25 |
1H | water | protons | 4.78 ppm | internal | indirect | 1.0 |
15N | water | protons | 4.78 ppm | internal | indirect | 0.1 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.78 ppm | internal | indirect | 0.25 |
1H | water | protons | 4.78 ppm | internal | indirect | 1.0 |
15N | water | protons | 4.78 ppm | internal | indirect | 0.1 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.78 ppm | internal | indirect | 0.25 |
1H | water | protons | 4.78 ppm | internal | indirect | 1.0 |
15N | water | protons | 4.78 ppm | internal | indirect | 0.1 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.78 ppm | internal | indirect | 0.25 |
1H | water | protons | 4.78 ppm | internal | indirect | 1.0 |
15N | water | protons | 4.78 ppm | internal | indirect | 0.1 |
Bruker Advance HD III - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 1 mM [U-99% 13C; U-99% 15N] E.coli Sigma factor S region 4, 93% H2O/7% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | E.coli Sigma factor S region 4 | [U-99% 13C; U-99% 15N] | 1 (±0.1) mM |
Bruker Advance HD III - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 1 mM [U-99% 13C; U-99% 15N] E.coli Sigma factor S region 4, 93% H2O/7% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | E.coli Sigma factor S region 4 | [U-99% 13C; U-99% 15N] | 1 (±0.1) mM |
Bruker Advance HD III - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 1 mM [U-99% 13C; U-99% 15N] E.coli Sigma factor S region 4, 93% H2O/7% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | E.coli Sigma factor S region 4 | [U-99% 13C; U-99% 15N] | 1 (±0.1) mM |
Bruker Advance HD III - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 1 mM [U-99% 13C; U-99% 15N] E.coli Sigma factor S region 4, 93% H2O/7% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | E.coli Sigma factor S region 4 | [U-99% 13C; U-99% 15N] | 1 (±0.1) mM |
Bruker Advance HD III - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 1 mM [U-99% 13C; U-99% 15N] E.coli Sigma factor S region 4, 93% H2O/7% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | E.coli Sigma factor S region 4 | [U-99% 13C; U-99% 15N] | 1 (±0.1) mM |
Bruker Advance HD III - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 1 mM [U-99% 13C; U-99% 15N] E.coli Sigma factor S region 4, 93% H2O/7% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | E.coli Sigma factor S region 4 | [U-99% 13C; U-99% 15N] | 1 (±0.1) mM |
Bruker Advance HD III - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 1 mM [U-99% 13C; U-99% 15N] E.coli Sigma factor S region 4, 93% H2O/7% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | E.coli Sigma factor S region 4 | [U-99% 13C; U-99% 15N] | 1 (±0.1) mM |
Bruker Advance HD III - 800 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 1 mM [U-99% 13C; U-99% 15N] E.coli Sigma factor S region 4, 93% H2O/7% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | E.coli Sigma factor S region 4 | [U-99% 13C; U-99% 15N] | 1 (±0.1) mM |
Bruker Advance HD III - 800 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 1 mM [U-99% 13C; U-99% 15N] E.coli Sigma factor S region 4, 93% H2O/7% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | E.coli Sigma factor S region 4 | [U-99% 13C; U-99% 15N] | 1 (±0.1) mM |
Bruker Advance HD III - 800 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 1 mM [U-99% 13C; U-99% 15N] E.coli Sigma factor S region 4, 93% H2O/7% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | E.coli Sigma factor S region 4 | [U-99% 13C; U-99% 15N] | 1 (±0.1) mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Dihedral angle restraints | combined_34234_6fi7.nef |
Input source #2: Coordindates | 6fi7.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-------- GPEDTTQDDDMKQSIVKWLFELNAKQREVLARRFGLLGYEAATLEDVGREIGLTRERVRQIQVEGLRRLREILQTQGLNIEALFRE |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GPEDTTQDDDMKQSIVKWLFELNAKQREVLARRFGLLGYEAATLEDVGREIGLTRERVRQIQVEGLRRLREILQTQGLNIEALFRE --------10--------20--------30--------40--------50--------60--------70--------80------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 86 | 0 | 0 | 100.0 |
Content subtype: combined_34234_6fi7.nef
Assigned chemical shifts
------20--------30--------40--------50--------60--------70--------80--------90-------- GPEDTTQDDDMKQSIVKWLFELNAKQREVLARRFGLLGYEAATLEDVGREIGLTRERVRQIQVEGLRRLREILQTQGLNIEALFRE |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GPEDTTQDDDMKQSIVKWLFELNAKQREVLARRFGLLGYEAATLEDVGREIGLTRERVRQIQVEGLRRLREILQTQGLNIEALFRE
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
44 | ARG | HH21 | 7.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 546 | 535 | 98.0 |
13C chemical shifts | 394 | 390 | 99.0 |
15N chemical shifts | 106 | 96 | 90.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 178 | 177 | 99.4 |
13C chemical shifts | 172 | 169 | 98.3 |
15N chemical shifts | 85 | 85 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 368 | 358 | 97.3 |
13C chemical shifts | 222 | 221 | 99.5 |
15N chemical shifts | 21 | 11 | 52.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 55 | 55 | 100.0 |
13C chemical shifts | 55 | 55 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 25 | 24 | 96.0 |
13C chemical shifts | 24 | 23 | 95.8 |
15N chemical shifts | 1 | 1 | 100.0 |
Dihedral angle restraints
------20--------30--------40--------50--------60--------70--------80--------90-------- GPEDTTQDDDMKQSIVKWLFELNAKQREVLARRFGLLGYEAATLEDVGREIGLTRERVRQIQVEGLRRLREILQTQGLNIEALFRE ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .......DDDMKQSIVKWLFELNAKQREVLARRFGLLGYEAATLEDVGREIGLTRERVRQIQVEGLRRLREILQTQGLNIEALFRE