holo_FldB
MNMGLFYGSS TCYTEMAAEK IRDIIGPELV TLHNLKDDSP KLMEQYDVLI LGIPTWDFGE IQEDWEAVWD QLDDLNLEGK IVALYGLGDQ LGYGEWFLDA LGMLHDKLST KGVKFVGYWP TEGYEFTSPK PVIADGQLFV GLALDETNQY DLSDERIQSW CEQILNEMAE HYA
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 93.9 % (1910 of 2034) | 92.9 % (973 of 1047) | 93.9 % (752 of 801) | 99.5 % (185 of 186) |
Backbone | 99.7 % (1023 of 1026) | 100.0 % (356 of 356) | 99.4 % (500 of 503) | 100.0 % (167 of 167) |
Sidechain | 89.6 % (1044 of 1165) | 89.3 % (617 of 691) | 89.9 % (409 of 455) | 94.7 % (18 of 19) |
Aromatic | 63.9 % (138 of 216) | 66.7 % (72 of 108) | 58.8 % (60 of 102) | 100.0 % (6 of 6) |
Methyl | 93.8 % (182 of 194) | 93.8 % (91 of 97) | 93.8 % (91 of 97) |
1. entity 1
MNMGLFYGSS TCYTEMAAEK IRDIIGPELV TLHNLKDDSP KLMEQYDVLI LGIPTWDFGE IQEDWEAVWD QLDDLNLEGK IVALYGLGDQ LGYGEWFLDA LGMLHDKLST KGVKFVGYWP TEGYEFTSPK PVIADGQLFV GLALDETNQY DLSDERIQSW CEQILNEMAE HYASolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 30 mM | |
3 | FLAVIN MONONUCLEOTIDE | natural abundance | 2 mM |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | entity_1 | [U-13C; U-15N] | 1 mM | |
5 | sodium phosphate | natural abundance | 30 mM | |
6 | FLAVIN MONONUCLEOTIDE | natural abundance | 2 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 |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 30 mM | |
3 | FLAVIN MONONUCLEOTIDE | natural abundance | 2 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | entity_1 | [U-13C; U-15N] | 1 mM | |
5 | sodium phosphate | natural abundance | 30 mM | |
6 | FLAVIN MONONUCLEOTIDE | natural abundance | 2 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | entity_1 | [U-13C; U-15N] | 1 mM | |
5 | sodium phosphate | natural abundance | 30 mM | |
6 | FLAVIN MONONUCLEOTIDE | natural abundance | 2 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | entity_1 | [U-13C; U-15N] | 1 mM | |
5 | sodium phosphate | natural abundance | 30 mM | |
6 | FLAVIN MONONUCLEOTIDE | natural abundance | 2 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | entity_1 | [U-13C; U-15N] | 1 mM | |
5 | sodium phosphate | natural abundance | 30 mM | |
6 | FLAVIN MONONUCLEOTIDE | natural abundance | 2 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | entity_1 | [U-13C; U-15N] | 1 mM | |
5 | sodium phosphate | natural abundance | 30 mM | |
6 | FLAVIN MONONUCLEOTIDE | natural abundance | 2 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 30 mM | |
3 | FLAVIN MONONUCLEOTIDE | natural abundance | 2 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | entity_1 | [U-13C; U-15N] | 1 mM | |
5 | sodium phosphate | natural abundance | 30 mM | |
6 | FLAVIN MONONUCLEOTIDE | natural abundance | 2 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints | combined_25153_2mt9.nef |
Input source #2: Coordindates | 2mt9.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
Chain_ID | Seq_ID | Comp_ID | Chem_comp_name | Experimental evidences |
---|---|---|---|---|
B | 1 | FMN | FLAVIN MONONUCLEOTIDE | None |
Sequence alignments
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MNMGLFYGSSTCYTEMAAEKIRDIIGPELVTLHNLKDDSPKLMEQYDVLILGIPTWDFGEIQEDWEAVWDQLDDLNLEGKIVALYGLGDQLGYGEWFLDA |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MNMGLFYGSSTCYTEMAAEKIRDIIGPELVTLHNLKDDSPKLMEQYDVLILGIPTWDFGEIQEDWEAVWDQLDDLNLEGKIVALYGLGDQLGYGEWFLDA -------110-------120-------130-------140-------150-------160-------170--- LGMLHDKLSTKGVKFVGYWPTEGYEFTSPKPVIADGQLFVGLALDETNQYDLSDERIQSWCEQILNEMAEHYA ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| LGMLHDKLSTKGVKFVGYWPTEGYEFTSPKPVIADGQLFVGLALDETNQYDLSDERIQSWCEQILNEMAEHYA
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 173 | 0 | 0 | 100.0 |
Content subtype: combined_25153_2mt9.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MNMGLFYGSSTCYTEMAAEKIRDIIGPELVTLHNLKDDSPKLMEQYDVLILGIPTWDFGEIQEDWEAVWDQLDDLNLEGKIVALYGLGDQLGYGEWFLDA |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MNMGLFYGSSTCYTEMAAEKIRDIIGPELVTLHNLKDDSPKLMEQYDVLILGIPTWDFGEIQEDWEAVWDQLDDLNLEGKIVALYGLGDQLGYGEWFLDA -------110-------120-------130-------140-------150-------160-------170--- LGMLHDKLSTKGVKFVGYWPTEGYEFTSPKPVIADGQLFVGLALDETNQYDLSDERIQSWCEQILNEMAEHYA ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| LGMLHDKLSTKGVKFVGYWPTEGYEFTSPKPVIADGQLFVGLALDETNQYDLSDERIQSWCEQILNEMAEHYA
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 1047 | 963 | 92.0 |
13C chemical shifts | 801 | 750 | 93.6 |
15N chemical shifts | 188 | 185 | 98.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 356 | 354 | 99.4 |
13C chemical shifts | 346 | 342 | 98.8 |
15N chemical shifts | 167 | 166 | 99.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 691 | 609 | 88.1 |
13C chemical shifts | 455 | 408 | 89.7 |
15N chemical shifts | 21 | 19 | 90.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 103 | 98 | 95.1 |
13C chemical shifts | 103 | 98 | 95.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 108 | 72 | 66.7 |
13C chemical shifts | 102 | 60 | 58.8 |
15N chemical shifts | 6 | 6 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MNMGLFYGSSTCYTEMAAEKIRDIIGPELVTLHNLKDDSPKLMEQYDVLILGIPTWDFGEIQEDWEAVWDQLDDLNLEGKIVALYGLGDQLGYGEWFLDA |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MNMGLFYGSSTCYTEMAAEKIRDIIGPELVTLHNLKDDSPKLMEQYDVLILGIPTWDFGEIQEDWEAVWDQLDDLNLEGKIVALYGLGDQLGYGEWFLDA -------110-------120-------130-------140-------150-------160-------170--- LGMLHDKLSTKGVKFVGYWPTEGYEFTSPKPVIADGQLFVGLALDETNQYDLSDERIQSWCEQILNEMAEHYA ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| LGMLHDKLSTKGVKFVGYWPTEGYEFTSPKPVIADGQLFVGLALDETNQYDLSDERIQSWCEQILNEMAEHYA