Solution structure of Musashi2 RRM1
MHHHHHHSTS VDLGTENLYF QSNAGKMFIG GLSWQTSPDS LRDYFSKFGE IRECMVMRDP TTKRSRGFGF VTFADPASVD KVLGQPHHEL DSKTIDPKVA FPRRAQPKMV TRTKK
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 90.3 % (1224 of 1355) | 90.7 % (643 of 709) | 89.6 % (476 of 531) | 91.3 % (105 of 115) |
Backbone | 92.6 % (626 of 676) | 91.8 % (212 of 231) | 93.8 % (316 of 337) | 90.7 % (98 of 108) |
Sidechain | 88.7 % (697 of 786) | 90.2 % (431 of 478) | 86.4 % (260 of 301) | 85.7 % (6 of 7) |
Aromatic | 62.1 % (87 of 140) | 70.0 % (49 of 70) | 53.6 % (37 of 69) | 100.0 % (1 of 1) |
Methyl | 100.0 % (92 of 92) | 100.0 % (46 of 46) | 100.0 % (46 of 46) |
1. entity 1
MHHHHHHSTS VDLGTENLYF QSNAGKMFIG GLSWQTSPDS LRDYFSKFGE IRECMVMRDP TTKRSRGFGF VTFADPASVD KVLGQPHHEL DSKTIDPKVA FPRRAQPKMV TRTKKSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.5 mM [U-90% 15N] MSI2-RRM1, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MSI2-RRM1 | [U-90% 15N] | 0.5 mM | |
2 | NaCl | natural abundance | 150 mM |
Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.7 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 0.6 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 1 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 0.4 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
3 | MSI2-RRM1 | [U-95% 13C; U-90% 15N] | 0.7 mM | |
4 | NaCl | natural abundance | 150 mM |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.5 mM [U-90% 15N] MSI2-RRM1, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MSI2-RRM1 | [U-90% 15N] | 0.5 mM | |
2 | NaCl | natural abundance | 150 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.7 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 0.6 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 1 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 0.4 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
3 | MSI2-RRM1 | [U-95% 13C; U-90% 15N] | 0.7 mM | |
4 | NaCl | natural abundance | 150 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.7 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 0.6 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 1 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 0.4 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
3 | MSI2-RRM1 | [U-95% 13C; U-90% 15N] | 0.7 mM | |
4 | NaCl | natural abundance | 150 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.7 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 0.6 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 1 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 0.4 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
3 | MSI2-RRM1 | [U-95% 13C; U-90% 15N] | 0.7 mM | |
4 | NaCl | natural abundance | 150 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.7 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 0.6 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 1 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 0.4 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
3 | MSI2-RRM1 | [U-95% 13C; U-90% 15N] | 0.7 mM | |
4 | NaCl | natural abundance | 150 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.7 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 0.6 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 1 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 0.4 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
3 | MSI2-RRM1 | [U-95% 13C; U-90% 15N] | 0.7 mM | |
4 | NaCl | natural abundance | 150 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.7 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 0.6 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 1 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 0.4 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
3 | MSI2-RRM1 | [U-95% 13C; U-90% 15N] | 0.7 mM | |
4 | NaCl | natural abundance | 150 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.7 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 0.6 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 1 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 0.4 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
3 | MSI2-RRM1 | [U-95% 13C; U-90% 15N] | 0.7 mM | |
4 | NaCl | natural abundance | 150 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.7 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 0.6 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 1 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 0.4 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
3 | MSI2-RRM1 | [U-95% 13C; U-90% 15N] | 0.7 mM | |
4 | NaCl | natural abundance | 150 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.7 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 0.6 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 1 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 0.4 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
3 | MSI2-RRM1 | [U-95% 13C; U-90% 15N] | 0.7 mM | |
4 | NaCl | natural abundance | 150 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.5 mM [U-90% 15N] MSI2-RRM1, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MSI2-RRM1 | [U-90% 15N] | 0.5 mM | |
2 | NaCl | natural abundance | 150 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.7 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 0.6 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 1 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 0.4 mM [U-95% 13C; U-90% 15N] MSI2-RRM1, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
3 | MSI2-RRM1 | [U-95% 13C; U-90% 15N] | 0.7 mM | |
4 | NaCl | natural abundance | 150 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_30398_6c8u.nef |
Input source #2: Coordindates | 6c8u.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
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
1 | 1 | 115 | 0 | 0 | 100.0 |
Content subtype: combined_30398_6c8u.nef
Assigned chemical shifts
------------10--------20--------30--------40--------50--------60--------70--------80--------90------ MHHHHHHSTSVDLGTENLYFQSNAGKMFIGGLSWQTSPDSLRDYFSKFGEIRECMVMRDPTTKRSRGFGFVTFADPASVDKVLGQPHHELDSKTIDPKVA ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .......STSVDLGTENLYFQSNAGKMFIGGLSWQTSPDSLRDYFSKFGEIRECMVMRDPTTKRSRGFGFVTFADPASVDKVLGQPHHELDSKTIDPKVA -100-------110- FPRRAQPKMVTRTKK ||||||||||||||| FPRRAQPKMVTRTKK
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
13 | ASN | CG | 176.73 |
19 | ASN | CG | 176.58 |
31 | GLN | CD | 180.25 |
81 | GLN | CD | 180.44 |
102 | GLN | CD | 180.46 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 709 | 642 | 90.6 |
13C chemical shifts | 531 | 472 | 88.9 |
15N chemical shifts | 123 | 107 | 87.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 231 | 214 | 92.6 |
13C chemical shifts | 230 | 216 | 93.9 |
15N chemical shifts | 108 | 98 | 90.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 478 | 428 | 89.5 |
13C chemical shifts | 301 | 256 | 85.0 |
15N chemical shifts | 15 | 9 | 60.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 51 | 50 | 98.0 |
13C chemical shifts | 51 | 50 | 98.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 70 | 45 | 64.3 |
13C chemical shifts | 69 | 33 | 47.8 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
------------10--------20--------30--------40--------50--------60--------70--------80--------90------ MHHHHHHSTSVDLGTENLYFQSNAGKMFIGGLSWQTSPDSLRDYFSKFGEIRECMVMRDPTTKRSRGFGFVTFADPASVDKVLGQPHHELDSKTIDPKVA ||| ||||||||| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ........TSV.LGTENLYFQ.NAGKMFIGGLSWQTSPDSLRDYFSKFGEIRECMVMRDPTTKRSRGFGFVTFADPASVDKVLGQPHHELDSKTIDPKVA -100-------110- FPRRAQPKMVTRTKK ||||||||||||||| FPRRAQPKMVTRTKK
------------10--------20--------30--------40--------50--------60--------70--------80--------90------ MHHHHHHSTSVDLGTENLYFQSNAGKMFIGGLSWQTSPDSLRDYFSKFGEIRECMVMRDPTTKRSRGFGFVTFADPASVDKVLGQPHHELDSKTIDPKVA || ||| |||||||||||||||||||||||||||||||||||||||||||| ||||||||||||||||||||||||||||||||| ...............EN.YFQ.NAGKMFIGGLSWQTSPDSLRDYFSKFGEIRECMVMRDPTTKRSR.FGFVTFADPASVDKVLGQPHHELDSKTIDPKVA ------------10--------20--------30--------40--------50--------60--------70--------80--------90------ -100-------110- FPRRAQPKMVTRTKK ||| ||| | | FPR.AQP.M.T -100-------
Dihedral angle restraints
------------10--------20--------30--------40--------50--------60--------70--------80--------90------ MHHHHHHSTSVDLGTENLYFQSNAGKMFIGGLSWQTSPDSLRDYFSKFGEIRECMVMRDPTTKRSRGFGFVTFADPASVDKVLGQPHHELDSKTIDPKVA |||||| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .............GTENLY.....GKMFIGGLSWQTSPDSLRDYFSKFGEIRECMVMRDPTTKRSRGFGFVTFADPASVDKVLGQPHHELDSKTIDPKVA ------------10--------20--------30--------40--------50--------60--------70--------80--------90------ -100-------110- FPRRAQPKMVTRTKK || FP --