Solution NMR Structure of the replication Factor A Related Protein from Methanobacterium thermoautotrophicum. Northeast Structural Genomics Target TR91A.
MKPEHRMDTI SKLEEGAETP VTGRVMKISS PRTFTTRKGR EGKLANVIIA DDTGELRAVF WTENIKLLKK FREGDVIRIK DVNIRGGFGG RKEAHLMPRS TVEVLDPLEH
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 91.9 % (1192 of 1297) | 89.5 % (611 of 683) | 94.7 % (478 of 505) | 94.5 % (103 of 109) |
Backbone | 94.6 % (615 of 650) | 92.9 % (209 of 225) | 96.2 % (308 of 320) | 93.3 % (98 of 105) |
Sidechain | 89.3 % (667 of 747) | 86.9 % (398 of 458) | 93.0 % (265 of 285) | 100.0 % (4 of 4) |
Aromatic | 87.5 % (56 of 64) | 87.5 % (28 of 32) | 87.1 % (27 of 31) | 100.0 % (1 of 1) |
Methyl | 96.8 % (120 of 124) | 95.2 % (59 of 62) | 98.4 % (61 of 62) |
1. TR91A
MKPEHRMDTI SKLEEGAETP VTGRVMKISS PRTFTTRKGR EGKLANVIIA DDTGELRAVF WTENIKLLKK FREGDVIRIK DVNIRGGFGG RKEAHLMPRS TVEVLDPLEHSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details NESG PST ID: TR91A.006
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TR91A | [U-100% 13C; U-100% 15N] | 1.25 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 100 mM | |
5 | Calcium Chloride | natural abundance | 5 mM | |
6 | sodium azide | natural abundance | 0.02 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details NESG PST ID: TR91A.008
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | TR91A | [U-100% 15N; 5% 13C] | 1.33 mM | |
8 | MES | natural abundance | 20 mM | |
9 | sodium chloride | natural abundance | 100 mM | |
10 | DTT | natural abundance | 100 mM | |
11 | Calcium Chloride | natural abundance | 5 mM | |
12 | sodium azide | natural abundance | 0.02 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details NESG PST ID: TR91A.008
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | TR91A | [U-100% 15N; 5% 13C] | 1.33 mM | |
8 | MES | natural abundance | 20 mM | |
9 | sodium chloride | natural abundance | 100 mM | |
10 | DTT | natural abundance | 100 mM | |
11 | Calcium Chloride | natural abundance | 5 mM | |
12 | sodium azide | natural abundance | 0.02 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details NESG PST ID: TR91A.006
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TR91A | [U-100% 13C; U-100% 15N] | 1.25 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 100 mM | |
5 | Calcium Chloride | natural abundance | 5 mM | |
6 | sodium azide | natural abundance | 0.02 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details NESG PST ID: TR91A.006
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TR91A | [U-100% 13C; U-100% 15N] | 1.25 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 100 mM | |
5 | Calcium Chloride | natural abundance | 5 mM | |
6 | sodium azide | natural abundance | 0.02 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details NESG PST ID: TR91A.006
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TR91A | [U-100% 13C; U-100% 15N] | 1.25 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 100 mM | |
5 | Calcium Chloride | natural abundance | 5 mM | |
6 | sodium azide | natural abundance | 0.02 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details NESG PST ID: TR91A.006
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TR91A | [U-100% 13C; U-100% 15N] | 1.25 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 100 mM | |
5 | Calcium Chloride | natural abundance | 5 mM | |
6 | sodium azide | natural abundance | 0.02 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details NESG PST ID: TR91A.006
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TR91A | [U-100% 13C; U-100% 15N] | 1.25 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 100 mM | |
5 | Calcium Chloride | natural abundance | 5 mM | |
6 | sodium azide | natural abundance | 0.02 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details NESG PST ID: TR91A.006
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TR91A | [U-100% 13C; U-100% 15N] | 1.25 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 100 mM | |
5 | Calcium Chloride | natural abundance | 5 mM | |
6 | sodium azide | natural abundance | 0.02 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details NESG PST ID: TR91A.006
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TR91A | [U-100% 13C; U-100% 15N] | 1.25 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 100 mM | |
5 | Calcium Chloride | natural abundance | 5 mM | |
6 | sodium azide | natural abundance | 0.02 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details NESG PST ID: TR91A.006
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TR91A | [U-100% 13C; U-100% 15N] | 1.25 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 100 mM | |
5 | Calcium Chloride | natural abundance | 5 mM | |
6 | sodium azide | natural abundance | 0.02 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details NESG PST ID: TR91A.006
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TR91A | [U-100% 13C; U-100% 15N] | 1.25 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 100 mM | |
5 | Calcium Chloride | natural abundance | 5 mM | |
6 | sodium azide | natural abundance | 0.02 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details NESG PST ID: TR91A.006
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TR91A | [U-100% 13C; U-100% 15N] | 1.25 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 100 mM | |
5 | Calcium Chloride | natural abundance | 5 mM | |
6 | sodium azide | natural abundance | 0.02 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details NESG PST ID: TR91A.006
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TR91A | [U-100% 13C; U-100% 15N] | 1.25 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 100 mM | |
5 | Calcium Chloride | natural abundance | 5 mM | |
6 | sodium azide | natural abundance | 0.02 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details NESG PST ID: TR91A.006
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TR91A | [U-100% 13C; U-100% 15N] | 1.25 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 100 mM | |
5 | Calcium Chloride | natural abundance | 5 mM | |
6 | sodium azide | natural abundance | 0.02 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details NESG PST ID: TR91A.006
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TR91A | [U-100% 13C; U-100% 15N] | 1.25 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 100 mM | |
5 | Calcium Chloride | natural abundance | 5 mM | |
6 | sodium azide | natural abundance | 0.02 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details NESG PST ID: TR91A.008
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | TR91A | [U-100% 15N; 5% 13C] | 1.33 mM | |
8 | MES | natural abundance | 20 mM | |
9 | sodium chloride | natural abundance | 100 mM | |
10 | DTT | natural abundance | 100 mM | |
11 | Calcium Chloride | natural abundance | 5 mM | |
12 | sodium azide | natural abundance | 0.02 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details NESG PST ID: TR91A.008
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | TR91A | [U-100% 15N; 5% 13C] | 1.33 mM | |
8 | MES | natural abundance | 20 mM | |
9 | sodium chloride | natural abundance | 100 mM | |
10 | DTT | natural abundance | 100 mM | |
11 | Calcium Chloride | natural abundance | 5 mM | |
12 | sodium azide | natural abundance | 0.02 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details NESG PST ID: TR91A.008
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | TR91A | [U-100% 15N; 5% 13C] | 1.33 mM | |
8 | MES | natural abundance | 20 mM | |
9 | sodium chloride | natural abundance | 100 mM | |
10 | DTT | natural abundance | 100 mM | |
11 | Calcium Chloride | natural abundance | 5 mM | |
12 | sodium azide | natural abundance | 0.02 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details NESG PST ID: TR91A.008
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | TR91A | [U-100% 15N; 5% 13C] | 1.33 mM | |
8 | MES | natural abundance | 20 mM | |
9 | sodium chloride | natural abundance | 100 mM | |
10 | DTT | natural abundance | 100 mM | |
11 | Calcium Chloride | natural abundance | 5 mM | |
12 | sodium azide | natural abundance | 0.02 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details NESG PST ID: TR91A.006
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TR91A | [U-100% 13C; U-100% 15N] | 1.25 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 100 mM | |
5 | Calcium Chloride | natural abundance | 5 mM | |
6 | sodium azide | natural abundance | 0.02 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details NESG PST ID: TR91A.006
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TR91A | [U-100% 13C; U-100% 15N] | 1.25 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 100 mM | |
5 | Calcium Chloride | natural abundance | 5 mM | |
6 | sodium azide | natural abundance | 0.02 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details NESG PST ID: TR91A.006
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TR91A | [U-100% 13C; U-100% 15N] | 1.25 mM | |
2 | MES | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 100 mM | |
5 | Calcium Chloride | natural abundance | 5 mM | |
6 | sodium azide | natural abundance | 0.02 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_15819_2k50.nef |
Input source #2: Coordindates | 2k50.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 MKPEHRMDTISKLEEGAETPVTGRVMKISSPRTFTTRKGREGKLANVIIADDTGELRAVFWTENIKLLKKFREGDVIRIKDVNIRGGFGGRKEAHLMPRS |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MKPEHRMDTISKLEEGAETPVTGRVMKISSPRTFTTRKGREGKLANVIIADDTGELRAVFWTENIKLLKKFREGDVIRIKDVNIRGGFGGRKEAHLMPRS -------110----- TVEVLDPLEHHHHHH ||||||||||||||| TVEVLDPLEHHHHHH
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 115 | 0 | 0 | 100.0 |
Content subtype: combined_15819_2k50.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MKPEHRMDTISKLEEGAETPVTGRVMKISSPRTFTTRKGREGKLANVIIADDTGELRAVFWTENIKLLKKFREGDVIRIKDVNIRGGFGGRKEAHLMPRS | |||||| ||||||||||||||||||||||||||| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| M.PEHRMD.ISKLEEGAETPVTGRVMKISSPRTFTT.KGREGKLANVIIADDTGELRAVFWTENIKLLKKFREGDVIRIKDVNIRGGFGGRKEAHLMPRS --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110----- TVEVLDPLEHHHHHH |||||||||| TVEVLDPLEH -------110
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
95 | HIS | ND1 | 250.13 |
95 | HIS | NE2 | 169.327 |
100 | SER | HG | 6.129 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 713 | 630 | 88.4 |
13C chemical shifts | 530 | 475 | 89.6 |
15N chemical shifts | 125 | 101 | 80.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 235 | 213 | 90.6 |
13C chemical shifts | 230 | 208 | 90.4 |
15N chemical shifts | 110 | 97 | 88.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 478 | 417 | 87.2 |
13C chemical shifts | 300 | 267 | 89.0 |
15N chemical shifts | 15 | 4 | 26.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 66 | 65 | 98.5 |
13C chemical shifts | 66 | 65 | 98.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 42 | 28 | 66.7 |
13C chemical shifts | 41 | 27 | 65.9 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MKPEHRMDTISKLEEGAETPVTGRVMKISSPRTFTTRKGREGKLANVIIADDTGELRAVFWTENIKLLKKFREGDVIRIKDVNIRGGFGGRKEAHLMPRS |||||| ||||||||||||||||||||||||||| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..PEHRMD.ISKLEEGAETPVTGRVMKISSPRTFTT.KGREGKLANVIIADDTGELRAVFWTENIKLLKKFREGDVIRIKDVNIRGGFGGRKEAHLMPRS --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110----- TVEVLDPLEHHHHHH |||||||||| TVEVLDPLEH -------110
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MKPEHRMDTISKLEEGAETPVTGRVMKISSPRTFTTRKGREGKLANVIIADDTGELRAVFWTENIKLLKKFREGDVIRIKDVNIRGGFGGRKEAHLMPRS ||||||||||||||||||||| ||||||| ||||||||||||||||||||||||||||||||||| ||||||||||| |||||||||| ........TISKLEEGAETPVTGRVMKIS.PRTFTTR.GREGKLANVIIADDTGELRAVFWTENIKLLKKFRE.DVIRIKDVNIR.....RKEAHLMPRS --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110----- TVEVLDPLEHHHHHH ||||| TVEVL -----