Solution structure of the RRM domain of the hypothetical protein CAGL0M09691g from Candida glabrata
MSLGSESETG NAVVVFGYRE AITKQILAYF AQFGEILEDL ESELGDTETM RTPGYFFQQA PNRRRISREH GRTWTKLTYA NHSSYLRALR EHGTIYCGAA IGCVPYKHEL ISELSREGHH HHHH
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 93.2 % (1336 of 1433) | 91.9 % (681 of 741) | 94.0 % (529 of 563) | 97.7 % (126 of 129) |
Backbone | 97.6 % (720 of 738) | 96.5 % (247 of 256) | 98.3 % (355 of 361) | 97.5 % (118 of 121) |
Sidechain | 90.0 % (727 of 808) | 89.5 % (434 of 485) | 90.5 % (285 of 315) | 100.0 % (8 of 8) |
Aromatic | 75.9 % (120 of 158) | 74.7 % (59 of 79) | 76.9 % (60 of 78) | 100.0 % (1 of 1) |
Methyl | 100.0 % (120 of 120) | 100.0 % (60 of 60) | 100.0 % (60 of 60) |
1. RRM domain of the hypothetical protein
MSLGSESETG NAVVVFGYRE AITKQILAYF AQFGEILEDL ESELGDTETM RTPGYFFQQA PNRRRISREH GRTWTKLTYA NHSSYLRALR EHGTIYCGAA IGCVPYKHEL ISELSREGHH HHHHSolvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5, Details 10mM Na Acetate buffer, 100mM NaCl, pH 4.5, 0.5mM DTT, 0.5mM EDTA
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RRM domain of the hypothetical protein | [U-100% 13C; U-100% 15N] | 1.0 mM | |
2 | sodium acetate | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 0.5 mM | |
5 | EDTA | natural abundance | 0.5 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5, Details 10mM Na Acetate buffer, 100mM NaCl, pH4.5, 0.5mM DTT, 0.5mM EDTA
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | RRM domain of the hypothetical protein | [U-100% 13C; U-100% 15N] | 1.0 mM | |
9 | sodium acetate | natural abundance | 10 mM | |
10 | sodium chloride | natural abundance | 100 mM | |
11 | DTT | natural abundance | 0.5 mM | |
12 | EDTA | natural abundance | 0.5 mM | |
13 | H2O | natural abundance | 90 % | |
14 | D2O | natural abundance | 10 % |
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 |
Varian Inova - 600 MHz
State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5, Details 10mM Na Acetate buffer, 100mM NaCl, pH 4.5, 0.5mM DTT, 0.5mM EDTA
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RRM domain of the hypothetical protein | [U-100% 13C; U-100% 15N] | 1.0 mM | |
2 | sodium acetate | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 0.5 mM | |
5 | EDTA | natural abundance | 0.5 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Varian Inova - 600 MHz
State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5, Details 10mM Na Acetate buffer, 100mM NaCl, pH 4.5, 0.5mM DTT, 0.5mM EDTA
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RRM domain of the hypothetical protein | [U-100% 13C; U-100% 15N] | 1.0 mM | |
2 | sodium acetate | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 0.5 mM | |
5 | EDTA | natural abundance | 0.5 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Varian Inova - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5, Details 10mM Na Acetate buffer, 100mM NaCl, pH4.5, 0.5mM DTT, 0.5mM EDTA
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | RRM domain of the hypothetical protein | [U-100% 13C; U-100% 15N] | 1.0 mM | |
9 | sodium acetate | natural abundance | 10 mM | |
10 | sodium chloride | natural abundance | 100 mM | |
11 | DTT | natural abundance | 0.5 mM | |
12 | EDTA | natural abundance | 0.5 mM | |
13 | H2O | natural abundance | 90 % | |
14 | D2O | natural abundance | 10 % |
Varian Inova - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5, Details 10mM Na Acetate buffer, 100mM NaCl, pH4.5, 0.5mM DTT, 0.5mM EDTA
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | RRM domain of the hypothetical protein | [U-100% 13C; U-100% 15N] | 1.0 mM | |
9 | sodium acetate | natural abundance | 10 mM | |
10 | sodium chloride | natural abundance | 100 mM | |
11 | DTT | natural abundance | 0.5 mM | |
12 | EDTA | natural abundance | 0.5 mM | |
13 | H2O | natural abundance | 90 % | |
14 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5, Details 10mM Na Acetate buffer, 100mM NaCl, pH4.5, 0.5mM DTT, 0.5mM EDTA
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | RRM domain of the hypothetical protein | [U-100% 13C; U-100% 15N] | 1.0 mM | |
9 | sodium acetate | natural abundance | 10 mM | |
10 | sodium chloride | natural abundance | 100 mM | |
11 | DTT | natural abundance | 0.5 mM | |
12 | EDTA | natural abundance | 0.5 mM | |
13 | H2O | natural abundance | 90 % | |
14 | D2O | natural abundance | 10 % |
Varian Inova - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5, Details 10mM Na Acetate buffer, 100mM NaCl, pH4.5, 0.5mM DTT, 0.5mM EDTA
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | RRM domain of the hypothetical protein | [U-100% 13C; U-100% 15N] | 1.0 mM | |
9 | sodium acetate | natural abundance | 10 mM | |
10 | sodium chloride | natural abundance | 100 mM | |
11 | DTT | natural abundance | 0.5 mM | |
12 | EDTA | natural abundance | 0.5 mM | |
13 | H2O | natural abundance | 90 % | |
14 | D2O | natural abundance | 10 % |
Varian Inova - 600 MHz
State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5, Details 10mM Na Acetate buffer, 100mM NaCl, pH 4.5, 0.5mM DTT, 0.5mM EDTA
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RRM domain of the hypothetical protein | [U-100% 13C; U-100% 15N] | 1.0 mM | |
2 | sodium acetate | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 0.5 mM | |
5 | EDTA | natural abundance | 0.5 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Varian Inova - 600 MHz
State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5, Details 10mM Na Acetate buffer, 100mM NaCl, pH 4.5, 0.5mM DTT, 0.5mM EDTA
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RRM domain of the hypothetical protein | [U-100% 13C; U-100% 15N] | 1.0 mM | |
2 | sodium acetate | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 0.5 mM | |
5 | EDTA | natural abundance | 0.5 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Varian Inova - 600 MHz
State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5, Details 10mM Na Acetate buffer, 100mM NaCl, pH 4.5, 0.5mM DTT, 0.5mM EDTA
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RRM domain of the hypothetical protein | [U-100% 13C; U-100% 15N] | 1.0 mM | |
2 | sodium acetate | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 0.5 mM | |
5 | EDTA | natural abundance | 0.5 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Varian Inova - 600 MHz
State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5, Details 10mM Na Acetate buffer, 100mM NaCl, pH 4.5, 0.5mM DTT, 0.5mM EDTA
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RRM domain of the hypothetical protein | [U-100% 13C; U-100% 15N] | 1.0 mM | |
2 | sodium acetate | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 0.5 mM | |
5 | EDTA | natural abundance | 0.5 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Varian Inova - 600 MHz
State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5, Details 10mM Na Acetate buffer, 100mM NaCl, pH 4.5, 0.5mM DTT, 0.5mM EDTA
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RRM domain of the hypothetical protein | [U-100% 13C; U-100% 15N] | 1.0 mM | |
2 | sodium acetate | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 0.5 mM | |
5 | EDTA | natural abundance | 0.5 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Varian Inova - 600 MHz
State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5, Details 10mM Na Acetate buffer, 100mM NaCl, pH 4.5, 0.5mM DTT, 0.5mM EDTA
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RRM domain of the hypothetical protein | [U-100% 13C; U-100% 15N] | 1.0 mM | |
2 | sodium acetate | natural abundance | 10 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | DTT | natural abundance | 0.5 mM | |
5 | EDTA | natural abundance | 0.5 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_19013_2m4m.nef |
Input source #2: Coordindates | 2m4m.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 MSLGSESETGNAVVVFGYREAITKQILAYFAQFGEILEDLESELGDTETMRTPGYFFQQAPNRRRISREHGRTWTKLTYANHSSYLRALREHGTIYCGAA |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MSLGSESETGNAVVVFGYREAITKQILAYFAQFGEILEDLESELGDTETMRTPGYFFQQAPNRRRISREHGRTWTKLTYANHSSYLRALREHGTIYCGAA -------110-------120---- IGCVPYKHELISELSREGHHHHHH |||||||||||||||||||||||| IGCVPYKHELISELSREGHHHHHH
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 124 | 0 | 0 | 100.0 |
Content subtype: combined_19013_2m4m.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MSLGSESETGNAVVVFGYREAITKQILAYFAQFGEILEDLESELGDTETMRTPGYFFQQAPNRRRISREHGRTWTKLTYANHSSYLRALREHGTIYCGAA ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .SLGSESETGNAVVVFGYREAITKQILAYFAQFGEILEDLESELGDTETMRTPGYFFQQAPNRRRISREHGRTWTKLTYANHSSYLRALREHGTIYCGAA -------110-------120---- IGCVPYKHELISELSREGHHHHHH |||||||||||||||||||||||| IGCVPYKHELISELSREGHHHHHH
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 741 | 694 | 93.7 |
13C chemical shifts | 563 | 532 | 94.5 |
15N chemical shifts | 139 | 131 | 94.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 256 | 250 | 97.7 |
13C chemical shifts | 248 | 246 | 99.2 |
15N chemical shifts | 121 | 117 | 96.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 485 | 444 | 91.5 |
13C chemical shifts | 315 | 286 | 90.8 |
15N chemical shifts | 18 | 14 | 77.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 62 | 61 | 98.4 |
13C chemical shifts | 62 | 61 | 98.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 79 | 64 | 81.0 |
13C chemical shifts | 78 | 63 | 80.8 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MSLGSESETGNAVVVFGYREAITKQILAYFAQFGEILEDLESELGDTETMRTPGYFFQQAPNRRRISREHGRTWTKLTYANHSSYLRALREHGTIYCGAA ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .SLGSESETGNAVVVFGYREAITKQILAYFAQFGEILEDLESELGDTETMRTPGYFFQQAPNRRRISREHGRTWTKLTYANHSSYLRALREHGTIYCGAA -------110-------120---- IGCVPYKHELISELSREGHHHHHH |||||||||||||||||||| || IGCVPYKHELISELSREGHH..HH
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MSLGSESETGNAVVVFGYREAITKQILAYFAQFGEILEDLESELGDTETMRTPGYFFQQAPNRRRISREHGRTWTKLTYANHSSYLRALREHGTIYCGAA ||||||||| |||||||||||| ||| ||||| |||||||||||||||||| ||||||| .........GNAVVVFGY...ITKQILAYFAQF.....................YFF.........SREHG.TWTKLTYANHSSYLRALR...TIYCGAA --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120---- IGCVPYKHELISELSREGHHHHHH |||| |||||||||||| IGCV.YKHELISELSRE -------110-------