NMR solution structure of U11/U12 65K protein's C-terminal RRM domain (381-516)
SDEMPSECIS RRELEKGRIS REEMETLSVF RSYEPGEPNC RIYVKNLAKH VQEKDLKYIF GRYVDFSSET QRIMFDIRLM KEGRMKGQAF IGLPNEKAAA KALKEANGYV LFGKPMVVQF ARSARPKQDP KEGKRK
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 95.0 % (1576 of 1659) | 94.7 % (840 of 887) | 94.8 % (601 of 634) | 97.8 % (135 of 138) |
Backbone | 98.5 % (790 of 802) | 97.8 % (268 of 274) | 99.0 % (395 of 399) | 98.4 % (127 of 129) |
Sidechain | 92.7 % (912 of 984) | 93.3 % (572 of 613) | 91.7 % (332 of 362) | 88.9 % (8 of 9) |
Aromatic | 70.2 % (80 of 114) | 84.2 % (48 of 57) | 56.1 % (32 of 57) | |
Methyl | 100.0 % (110 of 110) | 100.0 % (55 of 55) | 100.0 % (55 of 55) |
1. entity 1
SDEMPSECIS RRELEKGRIS REEMETLSVF RSYEPGEPNC RIYVKNLAKH VQEKDLKYIF GRYVDFSSET QRIMFDIRLM KEGRMKGQAF IGLPNEKAAA KALKEANGYV LFGKPMVVQF ARSARPKQDP KEGKRKSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303.3 K, pH 6.0, Details 0.2 mM [U-100% 13C; U-100% 15N] U11/U12 65K C-terminal RRM, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | U11/U12 65K C-terminal RRM | [U-100% 13C; U-100% 15N] | 0.2 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 AvanceIII - 850 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303.3 K, pH 6.0, Details 0.2 mM [U-100% 13C; U-100% 15N] U11/U12 65K C-terminal RRM, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | U11/U12 65K C-terminal RRM | [U-100% 13C; U-100% 15N] | 0.2 mM |
Bruker AvanceIII - 850 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303.3 K, pH 6.0, Details 0.2 mM [U-100% 13C; U-100% 15N] U11/U12 65K C-terminal RRM, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | U11/U12 65K C-terminal RRM | [U-100% 13C; U-100% 15N] | 0.2 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298.3 K, pH 6.0, Details 0.2 mM [U-100% 13C; U-100% 15N] U11/U12 65K C-terminal RRM, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | U11/U12 65K C-terminal RRM | [U-100% 13C; U-100% 15N] | 0.2 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298.3 K, pH 6.0, Details 0.2 mM [U-100% 13C; U-100% 15N] U11/U12 65K C-terminal RRM, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | U11/U12 65K C-terminal RRM | [U-100% 13C; U-100% 15N] | 0.2 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298.3 K, pH 6.0, Details 0.2 mM [U-100% 13C; U-100% 15N] U11/U12 65K C-terminal RRM, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | U11/U12 65K C-terminal RRM | [U-100% 13C; U-100% 15N] | 0.2 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303.3 K, pH 6.0, Details 0.2 mM [U-100% 13C; U-100% 15N] U11/U12 65K C-terminal RRM, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | U11/U12 65K C-terminal RRM | [U-100% 13C; U-100% 15N] | 0.2 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298.3 K, pH 6.0, Details 0.2 mM [U-100% 13C; U-100% 15N] U11/U12 65K C-terminal RRM, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | U11/U12 65K C-terminal RRM | [U-100% 13C; U-100% 15N] | 0.2 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298.3 K, pH 6.0, Details 0.2 mM [U-100% 13C; U-100% 15N] U11/U12 65K C-terminal RRM, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | U11/U12 65K C-terminal RRM | [U-100% 13C; U-100% 15N] | 0.2 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298.3 K, pH 6.0, Details 0.2 mM [U-100% 13C; U-100% 15N] U11/U12 65K C-terminal RRM, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | U11/U12 65K C-terminal RRM | [U-100% 13C; U-100% 15N] | 0.2 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303.3 K, pH 6.0, Details 0.2 mM [U-100% 13C; U-100% 15N] U11/U12 65K C-terminal RRM, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | U11/U12 65K C-terminal RRM | [U-100% 13C; U-100% 15N] | 0.2 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303.3 K, pH 6.0, Details 0.2 mM [U-100% 13C; U-100% 15N] U11/U12 65K C-terminal RRM, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | U11/U12 65K C-terminal RRM | [U-100% 13C; U-100% 15N] | 0.2 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303.3 K, pH 6.0, Details 0.2 mM [U-100% 13C; U-100% 15N] U11/U12 65K C-terminal RRM, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | U11/U12 65K C-terminal RRM | [U-100% 13C; U-100% 15N] | 0.2 mM |
Bruker AvanceIII - 850 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303.3 K, pH 6.0, Details 0.2 mM [U-100% 13C; U-100% 15N] U11/U12 65K C-terminal RRM, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | U11/U12 65K C-terminal RRM | [U-100% 13C; U-100% 15N] | 0.2 mM |
Bruker AvanceIII - 850 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303.3 K, pH 6.0, Details 0.2 mM [U-100% 13C; U-100% 15N] U11/U12 65K C-terminal RRM, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | U11/U12 65K C-terminal RRM | [U-100% 13C; U-100% 15N] | 0.2 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303.3 K, pH 6.0, Details 0.2 mM [U-100% 13C; U-100% 15N] U11/U12 65K C-terminal RRM, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | U11/U12 65K C-terminal RRM | [U-100% 13C; U-100% 15N] | 0.2 mM |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303.3 K, pH 6.0, Details 0.2 mM [U-100% 13C; U-100% 15N] U11/U12 65K C-terminal RRM, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | U11/U12 65K C-terminal RRM | [U-100% 13C; U-100% 15N] | 0.2 mM |
Bruker AvanceIII - 850 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303.3 K, pH 6.0, Details 0.2 mM [U-100% 13C; U-100% 15N] U11/U12 65K C-terminal RRM, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | U11/U12 65K C-terminal RRM | [U-100% 13C; U-100% 15N] | 0.2 mM |
Bruker AvanceIII - 850 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303.3 K, pH 6.0, Details 0.2 mM [U-100% 13C; U-100% 15N] U11/U12 65K C-terminal RRM, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | U11/U12 65K C-terminal RRM | [U-100% 13C; U-100% 15N] | 0.2 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints | combined_34155_5obn.nef |
Input source #2: Coordindates | 5obn.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
-------390-------400-------410-------420-------430-------440-------450-------460-------470-------480 SDEMPSECISRRELEKGRISREEMETLSVFRSYEPGEPNCRIYVKNLAKHVQEKDLKYIFGRYVDFSSETQRIMFDIRLMKEGRMKGQAFIGLPNEKAAA |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| SDEMPSECISRRELEKGRISREEMETLSVFRSYEPGEPNCRIYVKNLAKHVQEKDLKYIFGRYVDFSSETQRIMFDIRLMKEGRMKGQAFIGLPNEKAAA --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------490-------500-------510------ KALKEANGYVLFGKPMVVQFARSARPKQDPKEGKRK |||||||||||||||||||||||||||||||||||| KALKEANGYVLFGKPMVVQFARSARPKQDPKEGKRK -------110-------120-------130------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 136 | 0 | 0 | 100.0 |
Content subtype: combined_34155_5obn.nef
Assigned chemical shifts
-------390-------400-------410-------420-------430-------440-------450-------460-------470-------480 SDEMPSECISRRELEKGRISREEMETLSVFRSYEPGEPNCRIYVKNLAKHVQEKDLKYIFGRYVDFSSETQRIMFDIRLMKEGRMKGQAFIGLPNEKAAA |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| SDEMPSECISRRELEKGRISREEMETLSVFRSYEPGEPNCRIYVKNLAKHVQEKDLKYIFGRYVDFSSETQRIMFDIRLMKEGRMKGQAFIGLPNEKAAA -------490-------500-------510------ KALKEANGYVLFGKPMVVQFARSARPKQDPKEGKRK |||||||||||||||||||||||||||||||||||| KALKEANGYVLFGKPMVVQFARSARPKQDPKEGKRK
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
385 | PRO | N | 135.033 |
415 | PRO | N | 135.242 |
418 | PRO | N | 137.229 |
432 | GLN | CD | 180.911 |
451 | GLN | CD | 179.07 |
468 | GLN | CD | 180.349 |
474 | PRO | N | 127.169 |
495 | PRO | N | 137.126 |
499 | GLN | CD | 180.068 |
506 | PRO | N | 137.179 |
508 | GLN | CD | 180.583 |
510 | PRO | N | 137.559 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 634 | 602 | 95.0 |
1H chemical shifts | 887 | 846 | 95.4 |
15N chemical shifts | 151 | 132 | 87.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 272 | 271 | 99.6 |
1H chemical shifts | 274 | 268 | 97.8 |
15N chemical shifts | 129 | 124 | 96.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 362 | 331 | 91.4 |
1H chemical shifts | 613 | 578 | 94.3 |
15N chemical shifts | 22 | 8 | 36.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 61 | 61 | 100.0 |
1H chemical shifts | 61 | 61 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 57 | 32 | 56.1 |
1H chemical shifts | 57 | 49 | 86.0 |
Distance restraints
-------390-------400-------410-------420-------430-------440-------450-------460-------470-------480 SDEMPSECISRRELEKGRISREEMETLSVFRSYEPGEPNCRIYVKNLAKHVQEKDLKYIFGRYVDFSSETQRIMFDIRLMKEGRMKGQAFIGLPNEKAAA ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .DEMPSECISRRELEKGRISREEMETLSVFRSYEPGEPNCRIYVKNLAKHVQEKDLKYIFGRYVDFSSETQRIMFDIRLMKEGRMKGQAFIGLPNEKAAA -------490-------500-------510------ KALKEANGYVLFGKPMVVQFARSARPKQDPKEGKRK |||||||||||||||||||||||||||||||||||| KALKEANGYVLFGKPMVVQFARSARPKQDPKEGKRK