SOLUTION STRUCTURE OF TETRATRICOPEPTIDE REPEAT DOMAIN PROTEIN SRU_0103 FROM SALINIBACTER RUBER, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) TARGET SrR115C
EDPEDPFTRY ALAQEHLKHD NASRALALFE ELVETDPDYV GTYYHLGKLY ERLDRTDDAI DTYAQGIEVA REEGTQKDLS ELQDAKLKAE GLEHHHHHH
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 83.7 % (948 of 1133) | 92.5 % (542 of 586) | 70.0 % (312 of 446) | 93.1 % (94 of 101) |
Backbone | 78.9 % (464 of 588) | 93.5 % (187 of 200) | 64.0 % (187 of 292) | 93.8 % (90 of 96) |
Sidechain | 89.0 % (569 of 639) | 92.0 % (355 of 386) | 84.7 % (210 of 248) | 80.0 % (4 of 5) |
Aromatic | 61.5 % (64 of 104) | 75.0 % (39 of 52) | 48.1 % (25 of 52) | |
Methyl | 94.0 % (94 of 100) | 94.0 % (47 of 50) | 94.0 % (47 of 50) |
1. SRU 0103
EDPEDPFTRY ALAQEHLKHD NASRALALFE ELVETDPDYV GTYYHLGKLY ERLDRTDDAI DTYAQGIEVA REEGTQKDLS ELQDAKLKAE GLEHHHHHHSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SRU_0103 | [U-100% 13C; U-100% 15N] | 1.37 mM |
Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
2 | SRU_0103 | [U-10% 13C; U-100% 15N] | 1.05 mM |
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 - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SRU_0103 | [U-100% 13C; U-100% 15N] | 1.37 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SRU_0103 | [U-100% 13C; U-100% 15N] | 1.37 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SRU_0103 | [U-100% 13C; U-100% 15N] | 1.37 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SRU_0103 | [U-100% 13C; U-100% 15N] | 1.37 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SRU_0103 | [U-100% 13C; U-100% 15N] | 1.37 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SRU_0103 | [U-100% 13C; U-100% 15N] | 1.37 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SRU_0103 | [U-100% 13C; U-100% 15N] | 1.37 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SRU_0103 | [U-100% 13C; U-100% 15N] | 1.37 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SRU_0103 | [U-100% 13C; U-100% 15N] | 1.37 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
2 | SRU_0103 | [U-10% 13C; U-100% 15N] | 1.05 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SRU_0103 | [U-100% 13C; U-100% 15N] | 1.37 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_16084_2kcl.nef |
Input source #2: Coordindates | 2kcl.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--------- EDPEDPFTRYALAQEHLKHDNASRALALFEELVETDPDYVGTYYHLGKLYERLDRTDDAIDTYAQGIEVAREEGTQKDLSELQDAKLKAEGLEHHHHHH ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| EDPEDPFTRYALAQEHLKHDNASRALALFEELVETDPDYVGTYYHLGKLYERLDRTDDAIDTYAQGIEVAREEGTQKDLSELQDAKLKAEGLEHHHHHH
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 99 | 0 | 0 | 100.0 |
Content subtype: combined_16084_2kcl.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90--------- EDPEDPFTRYALAQEHLKHDNASRALALFEELVETDPDYVGTYYHLGKLYERLDRTDDAIDTYAQGIEVAREEGTQKDLSELQDAKLKAEGLEHHHHHH ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| EDPEDPFTRYALAQEHLKHDNASRALALFEELVETDPDYVGTYYHLGKLYERLDRTDDAIDTYAQGIEVAREEGTQKDLSELQDAKLKAEGLEHH --------10--------20--------30--------40--------50--------60--------70--------80--------90-----
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
42 | THR | HG1 | 5.58 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 586 | 554 | 94.5 |
13C chemical shifts | 446 | 310 | 69.5 |
15N chemical shifts | 106 | 99 | 93.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 200 | 191 | 95.5 |
13C chemical shifts | 198 | 95 | 48.0 |
15N chemical shifts | 96 | 91 | 94.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 386 | 363 | 94.0 |
13C chemical shifts | 248 | 215 | 86.7 |
15N chemical shifts | 10 | 8 | 80.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 50 | 50 | 100.0 |
13C chemical shifts | 50 | 50 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 52 | 39 | 75.0 |
13C chemical shifts | 52 | 23 | 44.2 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90--------- EDPEDPFTRYALAQEHLKHDNASRALALFEELVETDPDYVGTYYHLGKLYERLDRTDDAIDTYAQGIEVAREEGTQKDLSELQDAKLKAEGLEHHHHHH ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| EDPEDPFTRYALAQEHLKHDNASRALALFEELVETDPDYVGTYYHLGKLYERLDRTDDAIDTYAQGIEVAREEGTQKDLSELQDAKLKAEGLEHH --------10--------20--------30--------40--------50--------60--------70--------80--------90-----
--------10--------20--------30--------40--------50--------60--------70--------80--------90--------- EDPEDPFTRYALAQEHLKHDNASRALALFEELVETDPDYVGTYYHLGKLYERLDRTDDAIDTYAQGIEVAREEGTQKDLSELQDAKLKAEGLEHHHHHH |||||||| ||| ||||||||||| | | ||| ||| ||| ||||||||||||||| ||| | |||||||||| .....PFTRYALA.EHL...NASRALALFEE.V.T.....GTY.HLG.LYE...RTDDAIDTYAQGIEV.REE..Q..LSELQDAKLK --------10--------20--------30--------40--------50--------60--------70--------80--------
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90--------- EDPEDPFTRYALAQEHLKHDNASRALALFEELVETDPDYVGTYYHLGKLYERLDRTDDAIDTYAQGIEVAREEGTQKDLSELQDAKLKAEGLEHHHHHH |||||||||||||| ||||||||||||||| |||||||||||||||||||||||||||||||||||| ||||||||||||||||| .....PFTRYALAQEHLKH.NASRALALFEELVET..DYVGTYYHLGKLYERLDRTDDAIDTYAQGIEVAREE.TQKDLSELQDAKLKAEG --------10--------20--------30--------40--------50--------60--------70--------80--------90-