Solution structure of the S. cerevisiae H/ACA RNP protein Nhp2p-S82W mutant
SKKLNKKVLK TVKKASKAKN VKRGVKEVVK ALRKGEKGLV VIAGDIWPAD VISHIPVLCE DHSVPYIFIP SKQDLGAAGA TKRPTSVVFI VPGSNKKKDG KNKEEEYKES FNEVVKEVQA L
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 70.3 % (1022 of 1453) | 68.4 % (524 of 766) | 67.9 % (383 of 564) | 93.5 % (115 of 123) |
Backbone | 85.6 % (611 of 714) | 91.4 % (223 of 244) | 78.3 % (278 of 355) | 95.7 % (110 of 115) |
Sidechain | 60.7 % (517 of 852) | 57.7 % (301 of 522) | 65.5 % (211 of 322) | 62.5 % (5 of 8) |
Aromatic | 18.2 % (12 of 66) | 33.3 % (11 of 33) | 0.0 % (0 of 32) | 100.0 % (1 of 1) |
Methyl | 83.1 % (123 of 148) | 93.2 % (69 of 74) | 73.0 % (54 of 74) |
1. Nhp2p-S82W
SKKLNKKVLK TVKKASKAKN VKRGVKEVVK ALRKGEKGLV VIAGDIWPAD VISHIPVLCE DHSVPYIFIP SKQDLGAAGA TKRPTSVVFI VPGSNKKKDG KNKEEEYKES FNEVVKEVQA LSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HEPES | [U-13C; U-15N] | 20 mM | |
2 | potassium chloride | natural abundance | 200 mM | |
3 | DTT | natural abundance | 1 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | HEPES | [U-15N] | 20 mM | |
7 | potassium chloride | natural abundance | 200 mM | |
8 | DTT | natural abundance | 1 mM | |
9 | H2O | natural abundance | 90 % | |
10 | D2O | natural abundance | 10 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | HEPES | [U-13C; U-15N] | 20 mM | |
12 | potassium chloride | natural abundance | 200 mM | |
13 | DTT | natural abundance | 1 mM | |
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 | 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 DRX - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HEPES | [U-13C; U-15N] | 20 mM | |
2 | potassium chloride | natural abundance | 200 mM | |
3 | DTT | natural abundance | 1 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker DRX - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HEPES | [U-13C; U-15N] | 20 mM | |
2 | potassium chloride | natural abundance | 200 mM | |
3 | DTT | natural abundance | 1 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker DRX - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HEPES | [U-13C; U-15N] | 20 mM | |
2 | potassium chloride | natural abundance | 200 mM | |
3 | DTT | natural abundance | 1 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker DRX - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | HEPES | [U-15N] | 20 mM | |
7 | potassium chloride | natural abundance | 200 mM | |
8 | DTT | natural abundance | 1 mM | |
9 | H2O | natural abundance | 90 % | |
10 | D2O | natural abundance | 10 % |
Bruker DRX - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HEPES | [U-13C; U-15N] | 20 mM | |
2 | potassium chloride | natural abundance | 200 mM | |
3 | DTT | natural abundance | 1 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker DRX - 800 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | HEPES | [U-13C; U-15N] | 20 mM | |
12 | potassium chloride | natural abundance | 200 mM | |
13 | DTT | natural abundance | 1 mM | |
14 | D2O | natural abundance | 10 % |
Bruker DRX - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | HEPES | [U-15N] | 20 mM | |
7 | potassium chloride | natural abundance | 200 mM | |
8 | DTT | natural abundance | 1 mM | |
9 | H2O | natural abundance | 90 % | |
10 | D2O | natural abundance | 10 % |
Bruker DRX - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | HEPES | [U-15N] | 20 mM | |
7 | potassium chloride | natural abundance | 200 mM | |
8 | DTT | natural abundance | 1 mM | |
9 | H2O | natural abundance | 90 % | |
10 | D2O | natural abundance | 10 % |
Bruker DRX - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HEPES | [U-13C; U-15N] | 20 mM | |
2 | potassium chloride | natural abundance | 200 mM | |
3 | DTT | natural abundance | 1 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker DRX - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | HEPES | [U-13C; U-15N] | 20 mM | |
2 | potassium chloride | natural abundance | 200 mM | |
3 | DTT | natural abundance | 1 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_17578_2lbw.nef |
Input source #2: Coordindates | 2lbw.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
---40--------50--------60--------70--------80--------90-------100-------110-------120-------130----- SKKLNKKVLKTVKKASKAKNVKRGVKEVVKALRKGEKGLVVIAGDIWPADVISHIPVLCEDHSVPYIFIPSKQDLGAAGATKRPTSVVFIVPGSNKKKDG |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| SKKLNKKVLKTVKKASKAKNVKRGVKEVVKALRKGEKGLVVIAGDIWPADVISHIPVLCEDHSVPYIFIPSKQDLGAAGATKRPTSVVFIVPGSNKKKDG --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 --140-------150------ KNKEEEYKESFNEVVKEVQAL ||||||||||||||||||||| KNKEEEYKESFNEVVKEVQAL -------110-------120-
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 121 | 0 | 0 | 100.0 |
Content subtype: combined_17578_2lbw.nef
Assigned chemical shifts
---40--------50--------60--------70--------80--------90-------100-------110-------120-------130----- SKKLNKKVLKTVKKASKAKNVKRGVKEVVKALRKGEKGLVVIAGDIWPADVISHIPVLCEDHSVPYIFIPSKQDLGAAGATKRPTSVVFIVPGSNKKKDG ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| | |||||||||||||||| SKKLNKKVLKTVKKASKAKNVKRGVKEVVKALRKGEKGLVVIAGDIWPADVISHIPVLCEDHSVPYIFIPSKQDLGAAGAT.R.TSVVFIVPGSNKKKDG --140-------150------ KNKEEEYKESFNEVVKEVQAL |||| ||||||||||||||| KNKE..YKESFNEVVKEVQAL
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
94 | CYS | HG | 1.825 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 766 | 499 | 65.1 |
13C chemical shifts | 564 | 351 | 62.2 |
15N chemical shifts | 126 | 114 | 90.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 244 | 222 | 91.0 |
13C chemical shifts | 242 | 161 | 66.5 |
15N chemical shifts | 115 | 109 | 94.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 522 | 277 | 53.1 |
13C chemical shifts | 322 | 190 | 59.0 |
15N chemical shifts | 11 | 5 | 45.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 74 | 71 | 95.9 |
13C chemical shifts | 74 | 51 | 68.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 33 | 11 | 33.3 |
13C chemical shifts | 32 | 0 | 0.0 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
---40--------50--------60--------70--------80--------90-------100-------110-------120-------130----- SKKLNKKVLKTVKKASKAKNVKRGVKEVVKALRKGEKGLVVIAGDIWPADVISHIPVLCEDHSVPYIFIPSKQDLGAAGATKRPTSVVFIVPGSNKKKDG |||||||||||||||||||||||||||||||||||||||||||||| ||||| |||||||||||||||| ||||||| |||||||||||| ||| .KKLNKKVLKTVKKASKAKNVKRGVKEVVKALRKGEKGLVVIAGDIW.ADVIS...VLCEDHSVPYIFIPSK..LGAAGAT...TSVVFIVPGSNK.KDG --140-------150------ KNKEEEYKESFNEVVKEVQAL ||| ||||||||||||||| KNK...YKESFNEVVKEVQAL
---40--------50--------60--------70--------80--------90-------100-------110-------120-------130----- SKKLNKKVLKTVKKASKAKNVKRGVKEVVKALRKGEKGLVVIAGDIWPADVISHIPVLCEDHSVPYIFIPSKQDLGAAGATKRPTSVVFIVPGSNKKKDG |||||||||||||| | ||||||||||| |||| || ||||||||||| | | | |||||||||| |||| ..KLNKKVLKTVKKAS.....K.GVKEVVKALRK....LVVI.......DV.SHIPVLCEDHS.P.I.I.SKQDLGAAGA......VVFI.......... --140-------150------ KNKEEEYKESFNEVVKEVQAL ||||||||||||||||||| ..KEEEYKESFNEVVKEVQAL
Dihedral angle restraints
---40--------50--------60--------70--------80--------90-------100-------110-------120-------130----- SKKLNKKVLKTVKKASKAKNVKRGVKEVVKALRKGEKGLVVIAGDIWPADVISHIPVLCEDHSVPYIFIPSKQDLGAAGATKRPTSVVFIVPGSNKKKDG |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ||||||||||||| |||||||| ||||||| SKKLNKKVLKTVKKASKAKNVKRGVKEVVKALRKGEKGLVVIAGDIWPADVISHIPVLCEDHSVPYIF.PSKQDLGAAGATK..TSVVFIVP.SNKKKDG --140-------150------ KNKEEEYKESFNEVVKEVQAL |||||||||||||||| .....EYKESFNEVVKEVQAL