b-flap domain of RNA polymerase (B. subtilis)
MDDVYTSIHI EEYESEARDT KLGPEEITRD IPNVGEDALR NLDDRGVIRI GAEVKDGDLL VGKVTPKGVT ELTAEERLLH AIFGEKAREV RDTSLRVPHG GGGIIHDVKV FNREDGDELP PGVNQLVRVY IVQKRKISEG DGTHHHHHH
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 78.4 % (1317 of 1680) | 84.8 % (741 of 874) | 66.5 % (437 of 657) | 93.3 % (139 of 149) |
Backbone | 77.6 % (684 of 882) | 91.9 % (283 of 308) | 62.2 % (268 of 431) | 93.0 % (133 of 143) |
Sidechain | 81.4 % (758 of 931) | 80.9 % (458 of 566) | 81.9 % (294 of 359) | 100.0 % (6 of 6) |
Aromatic | 46.4 % (39 of 84) | 57.1 % (24 of 42) | 35.7 % (15 of 42) | |
Methyl | 92.0 % (162 of 176) | 93.2 % (82 of 88) | 90.9 % (80 of 88) |
1. b-flap
MDDVYTSIHI EEYESEARDT KLGPEEITRD IPNVGEDALR NLDDRGVIRI GAEVKDGDLL VGKVTPKGVT ELTAEERLLH AIFGEKAREV RDTSLRVPHG GGGIIHDVKV FNREDGDELP PGVNQLVRVY IVQKRKISEG DGTHHHHHHSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | b-flap | [U-100% 13C; U-100% 15N] | 500 (±50.0) uM | |
2 | potassium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | H2O | natural abundance | 95 % | |
5 | D2O | natural abundance | 5 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.773 ppm | internal | indirect | 0.2514495 |
1H | water | protons | 4.773 ppm | internal | direct | 1.0 |
15N | water | protons | 4.773 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.773 ppm | internal | indirect | 0.2514495 |
1H | water | protons | 4.773 ppm | internal | direct | 1.0 |
15N | water | protons | 4.773 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | water | protons | 4.773 ppm | internal | indirect | 0.2514495 |
1H | water | protons | 4.773 ppm | internal | direct | 1.0 |
15N | water | protons | 4.773 ppm | internal | indirect | 0.1013291 |
Bruker Avance - 900 MHz +Cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | b-flap | [U-100% 13C; U-100% 15N] | 500 (±50.0) uM | |
2 | potassium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | H2O | natural abundance | 95 % | |
5 | D2O | natural abundance | 5 % |
Bruker Avance - 900 MHz +Cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | b-flap | [U-100% 13C; U-100% 15N] | 500 (±50.0) uM | |
2 | potassium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | H2O | natural abundance | 95 % | |
5 | D2O | natural abundance | 5 % |
Bruker Avance - 900 MHz +Cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | b-flap | [U-100% 13C; U-100% 15N] | 500 (±50.0) uM | |
2 | potassium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | H2O | natural abundance | 95 % | |
5 | D2O | natural abundance | 5 % |
Bruker Avance - 900 MHz +Cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | b-flap | [U-100% 13C; U-100% 15N] | 500 (±50.0) uM | |
2 | potassium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | H2O | natural abundance | 95 % | |
5 | D2O | natural abundance | 5 % |
Bruker Avance - 900 MHz +Cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | b-flap | [U-100% 13C; U-100% 15N] | 500 (±50.0) uM | |
2 | potassium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | H2O | natural abundance | 95 % | |
5 | D2O | natural abundance | 5 % |
Bruker Avance - 900 MHz +Cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | b-flap | [U-100% 13C; U-100% 15N] | 500 (±50.0) uM | |
2 | potassium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | H2O | natural abundance | 95 % | |
5 | D2O | natural abundance | 5 % |
Bruker Avance - 900 MHz +Cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | b-flap | [U-100% 13C; U-100% 15N] | 500 (±50.0) uM | |
2 | potassium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | H2O | natural abundance | 95 % | |
5 | D2O | natural abundance | 5 % |
Bruker Avance - 900 MHz +Cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | b-flap | [U-100% 13C; U-100% 15N] | 500 (±50.0) uM | |
2 | potassium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | H2O | natural abundance | 95 % | |
5 | D2O | natural abundance | 5 % |
Bruker Avance - 900 MHz +Cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | b-flap | [U-100% 13C; U-100% 15N] | 500 (±50.0) uM | |
2 | potassium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | H2O | natural abundance | 95 % | |
5 | D2O | natural abundance | 5 % |
Bruker Avance - 900 MHz +Cryoprobe
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | b-flap | [U-100% 13C; U-100% 15N] | 500 (±50.0) uM | |
2 | potassium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 150 mM | |
4 | H2O | natural abundance | 95 % | |
5 | D2O | natural abundance | 5 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_18712_2ly7.nef |
Input source #2: Coordindates | 2ly7.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--------90-------100 MDDVYTSIHIEEYESEARDTKLGPEEITRDIPNVGEDALRNLDDRGVIRIGAEVKDGDLLVGKVTPKGVTELTAEERLLHAIFGEKAREVRDTSLRVPHG |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MDDVYTSIHIEEYESEARDTKLGPEEITRDIPNVGEDALRNLDDRGVIRIGAEVKDGDLLVGKVTPKGVTELTAEERLLHAIFGEKAREVRDTSLRVPHG -------110-------120-------130-------140--------- GGGIIHDVKVFNREDGDELPPGVNQLVRVYIVQKRKISEGDGTHHHHHH ||||||||||||||||||||||||||||||||||||||||||||||||| GGGIIHDVKVFNREDGDELPPGVNQLVRVYIVQKRKISEGDGTHHHHHH
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 149 | 0 | 0 | 100.0 |
Content subtype: combined_18712_2ly7.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MDDVYTSIHIEEYESEARDTKLGPEEITRDIPNVGEDALRNLDDRGVIRIGAEVKDGDLLVGKVTPKGVTELTAEERLLHAIFGEKAREVRDTSLRVPHG |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..DVYTSIHIEEYESEARDTKLGPEEITRDIPNVGEDALRNLDDRGVIRIGAEVKDGDLLVGKVTPKGVTELTAEERLLHAIFGEKAREVRDTSLRVPHG --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130-------140--------- GGGIIHDVKVFNREDGDELPPGVNQLVRVYIVQKRKISEGDGTHHHHHH ||||||||||||||||||||||||||||||||||||||||| GGGIIHDVKVFNREDGDELPPGVNQLVRVYIVQKRKISEGD -------110-------120-------130-------140-
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
94 | SER | HG | 5.726 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 874 | 737 | 84.3 |
13C chemical shifts | 657 | 409 | 62.3 |
15N chemical shifts | 161 | 138 | 85.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 308 | 284 | 92.2 |
13C chemical shifts | 298 | 125 | 41.9 |
15N chemical shifts | 143 | 132 | 92.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 566 | 453 | 80.0 |
13C chemical shifts | 359 | 284 | 79.1 |
15N chemical shifts | 18 | 6 | 33.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 89 | 82 | 92.1 |
13C chemical shifts | 89 | 79 | 88.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 42 | 22 | 52.4 |
13C chemical shifts | 42 | 11 | 26.2 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MDDVYTSIHIEEYESEARDTKLGPEEITRDIPNVGEDALRNLDDRGVIRIGAEVKDGDLLVGKVTPKGVTELTAEERLLHAIFGEKAREVRDTSLRVPHG |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..DVYTSIHIEEYESEARDTKLGPEEITRDIPNVGEDALRNLDDRGVIRIGAEVKDGDLLVGKVTPKGVTELTAEERLLHAIFGEKAREVRDTSLRVPHG --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130-------140--------- GGGIIHDVKVFNREDGDELPPGVNQLVRVYIVQKRKISEGDGTHHHHHH ||||||||||||||||||||||||||||||||||||||| GGGIIHDVKVFNREDGDELPPGVNQLVRVYIVQKRKISE -------110-------120-------130---------
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MDDVYTSIHIEEYESEARDTKLGPEEITRDIPNVGEDALRNLDDRGVIRIGAEVKDGDLLVGKVTPKGVTELTAEERLLHAIFGEKAREVRDTSLRVPHG ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ...VYTSIHIEEYESEARDTKLGPEEITRDIPNVGEDALRNLDDRGVIRIGAEVKDGDLLVGKVTPKGVTELTAEERLLHAIFGEKAREVRDTSLRVPHG --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130-------140--------- GGGIIHDVKVFNREDGDELPPGVNQLVRVYIVQKRKISEGDGTHHHHHH ||||||||||||||||||||||||||||||||||||||||| GGGIIHDVKVFNREDGDELPPGVNQLVRVYIVQKRKISEGD -------110-------120-------130-------140-