NMR resonance assignments for an archaeal homolog of the endonuclease Nob1 involved in ribosome biogenesis
MLRNLKKTLV LDSSVFIQGI DIEGYTTPSV VEEIKDRESK IFLESLISAG KVKIAEPSKE SIDRIIQVAK ETGEVNELSK ADIEVLALAY ELKGEIFSDD YNVQNIASLL GLRFRTLKRG IKKVIKWRYV CIGCGRKFST LPPGGVCPDC GSKVKLIPRK R
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | na | sing | 1:CYS131:SG | 2:ZN1:ZN |
2 | na | sing | 1:CYS134:SG | 2:ZN1:ZN |
3 | na | sing | 1:CYS147:SG | 2:ZN1:ZN |
4 | na | sing | 1:CYS150:SG | 2:ZN1:ZN |
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 93.0 % (1789 of 1924) | 91.1 % (919 of 1009) | 94.4 % (710 of 752) | 98.2 % (160 of 163) |
Backbone | 98.2 % (937 of 954) | 97.9 % (321 of 328) | 98.5 % (464 of 471) | 98.1 % (152 of 155) |
Sidechain | 89.3 % (999 of 1119) | 87.8 % (598 of 681) | 91.4 % (393 of 430) | 100.0 % (8 of 8) |
Aromatic | 80.9 % (76 of 94) | 100.0 % (47 of 47) | 60.9 % (28 of 46) | 100.0 % (1 of 1) |
Methyl | 94.8 % (199 of 210) | 93.3 % (98 of 105) | 96.2 % (101 of 105) |
1. PhNob1
MLRNLKKTLV LDSSVFIQGI DIEGYTTPSV VEEIKDRESK IFLESLISAG KVKIAEPSKE SIDRIIQVAK ETGEVNELSK ADIEVLALAY ELKGEIFSDD YNVQNIASLL GLRFRTLKRG IKKVIKWRYV CIGCGRKFST LPPGGVCPDC GSKVKLIPRK RSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PhNob1 | [U-15N] | 0.4 mM | |
2 | potassium chloride | natural abundance | 50 mM | |
3 | BisTris | natural abundance | 50 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | PhNob1 | [U-13C; U-15N] | 0.4 mM | |
7 | potassium chloride | natural abundance | 50 mM | |
8 | BisTris | natural abundance | 50 mM | |
9 | H2O | natural abundance | 90 % | |
10 | D20 | natural abundance | 10 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | TSP | methyl protons | 0.0 ppm | external | indirect | 0.2514495 |
1H | TSP | methyl protons | 0.0 ppm | external | direct | 1.0 |
15N | TSP | methyl protons | 0.0 ppm | external | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | TSP | methyl protons | 0.0 ppm | external | indirect | 0.2514495 |
1H | TSP | methyl protons | 0.0 ppm | external | direct | 1.0 |
15N | TSP | methyl protons | 0.0 ppm | external | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | TSP | methyl protons | 0.0 ppm | external | indirect | 0.2514495 |
1H | TSP | methyl protons | 0.0 ppm | external | direct | 1.0 |
15N | TSP | methyl protons | 0.0 ppm | external | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | TSP | methyl protons | 0.0 ppm | external | indirect | 0.2514495 |
1H | TSP | methyl protons | 0.0 ppm | external | direct | 1.0 |
15N | TSP | methyl protons | 0.0 ppm | external | indirect | 0.1013291 |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | PhNob1 | [U-13C; U-15N] | 0.4 mM | |
7 | potassium chloride | natural abundance | 50 mM | |
8 | BisTris | natural abundance | 50 mM | |
9 | H2O | natural abundance | 90 % | |
10 | D20 | natural abundance | 10 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | PhNob1 | [U-13C; U-15N] | 0.4 mM | |
7 | potassium chloride | natural abundance | 50 mM | |
8 | BisTris | natural abundance | 50 mM | |
9 | H2O | natural abundance | 90 % | |
10 | D20 | natural abundance | 10 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | PhNob1 | [U-13C; U-15N] | 0.4 mM | |
7 | potassium chloride | natural abundance | 50 mM | |
8 | BisTris | natural abundance | 50 mM | |
9 | H2O | natural abundance | 90 % | |
10 | D20 | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PhNob1 | [U-15N] | 0.4 mM | |
2 | potassium chloride | natural abundance | 50 mM | |
3 | BisTris | natural abundance | 50 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker Avance - 950 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PhNob1 | [U-15N] | 0.4 mM | |
2 | potassium chloride | natural abundance | 50 mM | |
3 | BisTris | natural abundance | 50 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker Avance - 950 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | PhNob1 | [U-13C; U-15N] | 0.4 mM | |
7 | potassium chloride | natural abundance | 50 mM | |
8 | BisTris | natural abundance | 50 mM | |
9 | H2O | natural abundance | 90 % | |
10 | D20 | natural abundance | 10 % |
Bruker Avance - 950 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | PhNob1 | [U-13C; U-15N] | 0.4 mM | |
7 | potassium chloride | natural abundance | 50 mM | |
8 | BisTris | natural abundance | 50 mM | |
9 | H2O | natural abundance | 90 % | |
10 | D20 | natural abundance | 10 % |
Bruker Avance - 950 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | PhNob1 | [U-13C; U-15N] | 0.4 mM | |
7 | potassium chloride | natural abundance | 50 mM | |
8 | BisTris | natural abundance | 50 mM | |
9 | H2O | natural abundance | 90 % | |
10 | D20 | natural abundance | 10 % |
Bruker Avance - 950 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | PhNob1 | [U-13C; U-15N] | 0.4 mM | |
7 | potassium chloride | natural abundance | 50 mM | |
8 | BisTris | natural abundance | 50 mM | |
9 | H2O | natural abundance | 90 % | |
10 | D20 | natural abundance | 10 % |
Bruker Avance - 900 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | PhNob1 | [U-13C; U-15N] | 0.4 mM | |
7 | potassium chloride | natural abundance | 50 mM | |
8 | BisTris | natural abundance | 50 mM | |
9 | H2O | natural abundance | 90 % | |
10 | D20 | natural abundance | 10 % |
Bruker Avance - 900 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | PhNob1 | [U-13C; U-15N] | 0.4 mM | |
7 | potassium chloride | natural abundance | 50 mM | |
8 | BisTris | natural abundance | 50 mM | |
9 | H2O | natural abundance | 90 % | |
10 | D20 | natural abundance | 10 % |
Bruker Avance - 900 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | PhNob1 | [U-13C; U-15N] | 0.4 mM | |
7 | potassium chloride | natural abundance | 50 mM | |
8 | BisTris | natural abundance | 50 mM | |
9 | H2O | natural abundance | 90 % | |
10 | D20 | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | PhNob1 | [U-13C; U-15N] | 0.4 mM | |
7 | potassium chloride | natural abundance | 50 mM | |
8 | BisTris | natural abundance | 50 mM | |
9 | H2O | natural abundance | 90 % | |
10 | D20 | natural abundance | 10 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | PhNob1 | [U-13C; U-15N] | 0.4 mM | |
7 | potassium chloride | natural abundance | 50 mM | |
8 | BisTris | natural abundance | 50 mM | |
9 | H2O | natural abundance | 90 % | |
10 | D20 | natural abundance | 10 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | PhNob1 | [U-13C; U-15N] | 0.4 mM | |
7 | potassium chloride | natural abundance | 50 mM | |
8 | BisTris | natural abundance | 50 mM | |
9 | H2O | natural abundance | 90 % | |
10 | D20 | natural abundance | 10 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | PhNob1 | [U-13C; U-15N] | 0.4 mM | |
7 | potassium chloride | natural abundance | 50 mM | |
8 | BisTris | natural abundance | 50 mM | |
9 | H2O | natural abundance | 90 % | |
10 | D20 | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | PhNob1 | [U-13C; U-15N] | 0.4 mM | |
7 | potassium chloride | natural abundance | 50 mM | |
8 | BisTris | natural abundance | 50 mM | |
9 | H2O | natural abundance | 90 % | |
10 | D20 | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | PhNob1 | [U-13C; U-15N] | 0.4 mM | |
7 | potassium chloride | natural abundance | 50 mM | |
8 | BisTris | natural abundance | 50 mM | |
9 | H2O | natural abundance | 90 % | |
10 | D20 | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | PhNob1 | [U-13C; U-15N] | 0.4 mM | |
7 | potassium chloride | natural abundance | 50 mM | |
8 | BisTris | natural abundance | 50 mM | |
9 | H2O | natural abundance | 90 % | |
10 | D20 | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_17595_2lcq.nef |
Input source #2: Coordindates | 2lcq.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 (Å) |
---|---|---|---|---|
1:154:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:151:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:138:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:135:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
Non-standard residues
Chain_ID | Seq_ID | Comp_ID | Chem_comp_name | Experimental evidences |
---|---|---|---|---|
B | 1 | ZN | ZINC ION | None |
Sequence alignments
------------10--------20--------30--------40--------50--------60--------70--------80--------90------ GSMGMLRNLKKTLVLDSSVFIQGIDIEGYTTPSVVEEIKDRESKIFLESLISAGKVKIAEPSKESIDRIIQVAKETGEVNELSKADIEVLALAYELKGEI |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GSMGMLRNLKKTLVLDSSVFIQGIDIEGYTTPSVVEEIKDRESKIFLESLISAGKVKIAEPSKESIDRIIQVAKETGEVNELSKADIEVLALAYELKGEI --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -100-------110-------120-------130-------140-------150-------160- FSDDYNVQNIASLLGLRFRTLKRGIKKVIKWRYVCIGCGRKFSTLPPGGVCPDCGSKVKLIPRKR ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| FSDDYNVQNIASLLGLRFRTLKRGIKKVIKWRYVCIGCGRKFSTLPPGGVCPDCGSKVKLIPRKR -------110-------120-------130-------140-------150-------160-----
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 165 | 0 | 0 | 100.0 |
Content subtype: combined_17595_2lcq.nef
Assigned chemical shifts
------------10--------20--------30--------40--------50--------60--------70--------80--------90------ GSMGMLRNLKKTLVLDSSVFIQGIDIEGYTTPSVVEEIKDRESKIFLESLISAGKVKIAEPSKESIDRIIQVAKETGEVNELSKADIEVLALAYELKGEI |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ......RNLKKTLVLDSSVFIQGIDIEGYTTPSVVEEIKDRESKIFLESLISAGKVKIAEPSKESIDRIIQVAKETGEVNELSKADIEVLALAYELKGEI -100-------110-------120-------130-------140-------150-------160- FSDDYNVQNIASLLGLRFRTLKRGIKKVIKWRYVCIGCGRKFSTLPPGGVCPDCGSKVKLIPRKR ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| FSDDYNVQNIASLLGLRFRTLKRGIKKVIKWRYVCIGCGRKFSTLPPGGVCPDCGSKVKLIPRKR
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 1026 | 901 | 87.8 |
13C chemical shifts | 764 | 704 | 92.1 |
15N chemical shifts | 177 | 160 | 90.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 338 | 323 | 95.6 |
13C chemical shifts | 330 | 317 | 96.1 |
15N chemical shifts | 159 | 152 | 95.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 688 | 578 | 84.0 |
13C chemical shifts | 434 | 387 | 89.2 |
15N chemical shifts | 18 | 8 | 44.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 107 | 98 | 91.6 |
13C chemical shifts | 107 | 101 | 94.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 47 | 47 | 100.0 |
13C chemical shifts | 46 | 28 | 60.9 |
15N chemical shifts | 1 | 1 | 100.0 |
Covalent bonds
Distance restraints
------------10--------20--------30--------40--------50--------60--------70--------80--------90------ GSMGMLRNLKKTLVLDSSVFIQGIDIEGYTTPSVVEEIKDRESKIFLESLISAGKVKIAEPSKESIDRIIQVAKETGEVNELSKADIEVLALAYELKGEI ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .........KKTLVLDSSVFIQGIDIEGYTTPSVVEEIKDRESKIFLESLISAGKVKIAEPSKESIDRIIQVAKETGEVNELSKADIEVLALAYELKGEI -100-------110-------120-------130-------140-------150-------160- FSDDYNVQNIASLLGLRFRTLKRGIKKVIKWRYVCIGCGRKFSTLPPGGVCPDCGSKVKLIPRKR |||||||||||||||||||||| |||||||||||||||||||||||||||||||||||||||||| FSDDYNVQNIASLLGLRFRTLK.GIKKVIKWRYVCIGCGRKFSTLPPGGVCPDCGSKVKLIPRKR
Dihedral angle restraints
------------10--------20--------30--------40--------50--------60--------70--------80--------90------ GSMGMLRNLKKTLVLDSSVFIQGIDIEGYTTPSVVEEIKDRESKIFLESLISAGKVKIAEPSKESIDRIIQVAKETGEVNELSKADIEVLALAYELKGEI ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .........KKTLVLDSSVFIQGIDIEGYTTPSVVEEIKDRESKIFLESLISAGKVKIAEPSKESIDRIIQVAKETGEVNELSKADIEVLALAYELKGEI ------------10--------20--------30--------40--------50--------60--------70--------80--------90------ -100-------110-------120-------130-------140-------150-------160- FSDDYNVQNIASLLGLRFRTLKRGIKKVIKWRYVCIGCGRKFSTLPPGGVCPDCGSKVKLIPRKR | |||||||||||||||||| |||||||||| |||||||| |||||||||||||| F..DYNVQNIASLLGLRFRTL......VIKWRYVCIG.GRKFSTLP..GVCPDCGSKVKLIP -100-------110-------120-------130-------140-------150--------