Solution Structure of the C-terminal domain of Prp24
MFLERNEVKR LLASRNSKEL ETLICLFPLS DKVSPSLICQ FLQEEIHINE KDIRKILLVS DFNGAIIIFR DSKFAAKMLM ILNGSQFQGK VIRSGTINDM KRYYNNQQNH WHHHHHH
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 88.9 % (1298 of 1460) | 88.9 % (682 of 767) | 88.1 % (495 of 562) | 92.4 % (121 of 131) |
Backbone | 91.8 % (641 of 698) | 91.9 % (217 of 236) | 91.6 % (318 of 347) | 92.2 % (106 of 115) |
Sidechain | 87.0 % (761 of 875) | 87.6 % (465 of 531) | 85.7 % (281 of 328) | 93.8 % (15 of 16) |
Aromatic | 49.2 % (64 of 130) | 50.8 % (33 of 65) | 46.9 % (30 of 64) | 100.0 % (1 of 1) |
Methyl | 100.0 % (128 of 128) | 100.0 % (64 of 64) | 100.0 % (64 of 64) |
1. L4W
MFLERNEVKR LLASRNSKEL ETLICLFPLS DKVSPSLICQ FLQEEIHINE KDIRKILLVS DFNGAIIIFR DSKFAAKMLM ILNGSQFQGK VIRSGTINDM KRYYNNQQNH WHHHHHHSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | L4W | [U-99% 13C; U-99% 15N] | 600 uM | |
2 | potassium phosphate pH 6 | natural abundance | 18 mM | |
3 | potassium chloride | natural abundance | 45 mM | |
4 | DTT | natural abundance | 0.9 mM | |
5 | H2O | natural abundance | 9 % | |
6 | D2O | natural abundance | 10 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | L4W | [U-99% 13C; U-99% 15N] | 600 uM | |
8 | potassium phosphate pH 6 | [U-99% 2H] | 18 mM | |
9 | potassium chloride | [U-99% 2H] | 45 mM | |
10 | D2O | natural abundance | 100 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | L4W | [U-99% 13C; U-99% 15N] | 600 uM | |
12 | potassium phosphate pH 6 | natural abundance | 18 mM | |
13 | potassium chloride | natural abundance | 45 mM | |
14 | DSS | natural abundance | 1 uM | |
15 | H2O | natural abundance | 90 % | |
16 | D2O | natural abundance | 10 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
17 | L4W | natural abundance | 600 uM | |
18 | potassium phosphate pH 6 | [U-99% 2H] | 18 mM | |
19 | potassium chloride | [U-99% 2H] | 45 mM | |
20 | D2O | natural abundance | 100 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
21 | L4W | [U-99% 13C; U-99% 15N] | 600 uM | |
22 | potassium phosphate pH 6 | natural abundance | 18 mM | |
23 | potassium chloride | natural abundance | 45 mM | |
24 | DTT | natural abundance | 0.9 mM | |
25 | DMPC/DHPC q=3 | natural abundance | 6.5 % | |
26 | CTAB | natural abundance | 0.67 mg/mL | |
27 | H2O | natural abundance | 90 % | |
28 | 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 |
Varian Uniform NMR System - 900 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | L4W | [U-99% 13C; U-99% 15N] | 600 uM | |
2 | potassium phosphate pH 6 | natural abundance | 18 mM | |
3 | potassium chloride | natural abundance | 45 mM | |
4 | DTT | natural abundance | 0.9 mM | |
5 | H2O | natural abundance | 9 % | |
6 | D2O | natural abundance | 10 % |
Varian Uniform NMR System - 900 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | L4W | [U-99% 13C; U-99% 15N] | 600 uM | |
2 | potassium phosphate pH 6 | natural abundance | 18 mM | |
3 | potassium chloride | natural abundance | 45 mM | |
4 | DTT | natural abundance | 0.9 mM | |
5 | H2O | natural abundance | 9 % | |
6 | D2O | natural abundance | 10 % |
Varian Uniform NMR System - 900 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | L4W | [U-99% 13C; U-99% 15N] | 600 uM | |
2 | potassium phosphate pH 6 | natural abundance | 18 mM | |
3 | potassium chloride | natural abundance | 45 mM | |
4 | DTT | natural abundance | 0.9 mM | |
5 | H2O | natural abundance | 9 % | |
6 | D2O | natural abundance | 10 % |
Varian Uniform NMR System - 900 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | L4W | [U-99% 13C; U-99% 15N] | 600 uM | |
2 | potassium phosphate pH 6 | natural abundance | 18 mM | |
3 | potassium chloride | natural abundance | 45 mM | |
4 | DTT | natural abundance | 0.9 mM | |
5 | H2O | natural abundance | 9 % | |
6 | D2O | natural abundance | 10 % |
Varian Uniform NMR System - 900 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | L4W | [U-99% 13C; U-99% 15N] | 600 uM | |
2 | potassium phosphate pH 6 | natural abundance | 18 mM | |
3 | potassium chloride | natural abundance | 45 mM | |
4 | DTT | natural abundance | 0.9 mM | |
5 | H2O | natural abundance | 9 % | |
6 | D2O | natural abundance | 10 % |
Varian Uniform NMR System - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | L4W | [U-99% 13C; U-99% 15N] | 600 uM | |
2 | potassium phosphate pH 6 | natural abundance | 18 mM | |
3 | potassium chloride | natural abundance | 45 mM | |
4 | DTT | natural abundance | 0.9 mM | |
5 | H2O | natural abundance | 9 % | |
6 | D2O | natural abundance | 10 % |
Varian Uniform NMR System - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | L4W | [U-99% 13C; U-99% 15N] | 600 uM | |
2 | potassium phosphate pH 6 | natural abundance | 18 mM | |
3 | potassium chloride | natural abundance | 45 mM | |
4 | DTT | natural abundance | 0.9 mM | |
5 | H2O | natural abundance | 9 % | |
6 | D2O | natural abundance | 10 % |
Varian Uniform NMR System - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | L4W | [U-99% 13C; U-99% 15N] | 600 uM | |
2 | potassium phosphate pH 6 | natural abundance | 18 mM | |
3 | potassium chloride | natural abundance | 45 mM | |
4 | DTT | natural abundance | 0.9 mM | |
5 | H2O | natural abundance | 9 % | |
6 | D2O | natural abundance | 10 % |
Varian Uniform NMR System - 900 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | L4W | [U-99% 13C; U-99% 15N] | 600 uM | |
8 | potassium phosphate pH 6 | [U-99% 2H] | 18 mM | |
9 | potassium chloride | [U-99% 2H] | 45 mM | |
10 | D2O | natural abundance | 100 % |
Varian Uniform NMR System - 900 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | L4W | [U-99% 13C; U-99% 15N] | 600 uM | |
8 | potassium phosphate pH 6 | [U-99% 2H] | 18 mM | |
9 | potassium chloride | [U-99% 2H] | 45 mM | |
10 | D2O | natural abundance | 100 % |
Varian Uniform NMR System - 900 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
17 | L4W | natural abundance | 600 uM | |
18 | potassium phosphate pH 6 | [U-99% 2H] | 18 mM | |
19 | potassium chloride | [U-99% 2H] | 45 mM | |
20 | D2O | natural abundance | 100 % |
Varian Uniform NMR System - 900 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | L4W | [U-99% 13C; U-99% 15N] | 600 uM | |
8 | potassium phosphate pH 6 | [U-99% 2H] | 18 mM | |
9 | potassium chloride | [U-99% 2H] | 45 mM | |
10 | D2O | natural abundance | 100 % |
Varian Uniform NMR System - 900 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | L4W | [U-99% 13C; U-99% 15N] | 600 uM | |
8 | potassium phosphate pH 6 | [U-99% 2H] | 18 mM | |
9 | potassium chloride | [U-99% 2H] | 45 mM | |
10 | D2O | natural abundance | 100 % |
Varian Uniform NMR System - 900 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | L4W | [U-99% 13C; U-99% 15N] | 600 uM | |
8 | potassium phosphate pH 6 | [U-99% 2H] | 18 mM | |
9 | potassium chloride | [U-99% 2H] | 45 mM | |
10 | D2O | natural abundance | 100 % |
Varian Uniform NMR System - 900 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | L4W | [U-99% 13C; U-99% 15N] | 600 uM | |
12 | potassium phosphate pH 6 | natural abundance | 18 mM | |
13 | potassium chloride | natural abundance | 45 mM | |
14 | DSS | natural abundance | 1 uM | |
15 | H2O | natural abundance | 90 % | |
16 | D2O | natural abundance | 10 % |
Bruker DMX - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | L4W | [U-99% 13C; U-99% 15N] | 600 uM | |
2 | potassium phosphate pH 6 | natural abundance | 18 mM | |
3 | potassium chloride | natural abundance | 45 mM | |
4 | DTT | natural abundance | 0.9 mM | |
5 | H2O | natural abundance | 9 % | |
6 | D2O | natural abundance | 10 % |
Bruker DMX - 750 MHz
State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
21 | L4W | [U-99% 13C; U-99% 15N] | 600 uM | |
22 | potassium phosphate pH 6 | natural abundance | 18 mM | |
23 | potassium chloride | natural abundance | 45 mM | |
24 | DTT | natural abundance | 0.9 mM | |
25 | DMPC/DHPC q=3 | natural abundance | 6.5 % | |
26 | CTAB | natural abundance | 0.67 mg/mL | |
27 | H2O | natural abundance | 90 % | |
28 | D2O | natural abundance | 10 % |
Bruker DMX - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | L4W | [U-99% 13C; U-99% 15N] | 600 uM | |
2 | potassium phosphate pH 6 | natural abundance | 18 mM | |
3 | potassium chloride | natural abundance | 45 mM | |
4 | DTT | natural abundance | 0.9 mM | |
5 | H2O | natural abundance | 9 % | |
6 | D2O | natural abundance | 10 % |
Bruker DMX - 750 MHz
State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
21 | L4W | [U-99% 13C; U-99% 15N] | 600 uM | |
22 | potassium phosphate pH 6 | natural abundance | 18 mM | |
23 | potassium chloride | natural abundance | 45 mM | |
24 | DTT | natural abundance | 0.9 mM | |
25 | DMPC/DHPC q=3 | natural abundance | 6.5 % | |
26 | CTAB | natural abundance | 0.67 mg/mL | |
27 | H2O | natural abundance | 90 % | |
28 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints | combined_17490_2l9w.nef |
Input source #2: Coordindates | 2l9w.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
-------300-------310-------320-------330-------340-------350-------360-------370-------380-------390 MFLERNEVKRLLASRNSKELETLICLFPLSDKVSPSLICQFLQEEIHINEKDIRKILLVSDFNGAIIIFRDSKFAAKMLMILNGSQFQGKVIRSGTINDM |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MFLERNEVKRLLASRNSKELETLICLFPLSDKVSPSLICQFLQEEIHINEKDIRKILLVSDFNGAIIIFRDSKFAAKMLMILNGSQFQGKVIRSGTINDM --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------400------- KRYYNNQQNHWHHHHHH ||||||||||||||||| KRYYNNQQNHWHHHHHH -------110-------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 117 | 0 | 0 | 100.0 |
Content subtype: combined_17490_2l9w.nef
Assigned chemical shifts
-------300-------310-------320-------330-------340-------350-------360-------370-------380-------390 MFLERNEVKRLLASRNSKELETLICLFPLSDKVSPSLICQFLQEEIHINEKDIRKILLVSDFNGAIIIFRDSKFAAKMLMILNGSQFQGKVIRSGTINDM ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .FLERNEVKRLLASRNSKELETLICLFPLSDKVSPSLICQFLQEEIHINEKDIRKILLVSDFNGAIIIFRDSKFAAKMLMILNGSQFQGKVIRSGTINDM -------300-------310-------320-------330-------340-------350-------360-------370-------380-------390 -------400------- KRYYNNQQNHWHHHHHH ||||||||||| KRYYNNQQNHW -------400-
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 767 | 679 | 88.5 |
13C chemical shifts | 562 | 492 | 87.5 |
15N chemical shifts | 138 | 121 | 87.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 236 | 218 | 92.4 |
13C chemical shifts | 234 | 214 | 91.5 |
15N chemical shifts | 115 | 106 | 92.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 531 | 461 | 86.8 |
13C chemical shifts | 328 | 278 | 84.8 |
15N chemical shifts | 23 | 15 | 65.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 68 | 64 | 94.1 |
13C chemical shifts | 68 | 63 | 92.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 65 | 33 | 50.8 |
13C chemical shifts | 64 | 30 | 46.9 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
-------300-------310-------320-------330-------340-------350-------360-------370-------380-------390 MFLERNEVKRLLASRNSKELETLICLFPLSDKVSPSLICQFLQEEIHINEKDIRKILLVSDFNGAIIIFRDSKFAAKMLMILNGSQFQGKVIRSGTINDM ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .FLERNEVKRLLASRNSKELETLICLFPLSDKVSPSLICQFLQEEIHINEKDIRKILLVSDFNGAIIIFRDSKFAAKMLMILNGSQFQGKVIRSGTINDM -------300-------310-------320-------330-------340-------350-------360-------370-------380-------390 -------400------- KRYYNNQQNHWHHHHHH ||||||||| KRYYNNQQN ---------
Dihedral angle restraints
-------300-------310-------320-------330-------340-------350-------360-------370-------380-------390 MFLERNEVKRLLASRNSKELETLICLFPLSDKVSPSLICQFLQEEIHINEKDIRKILLVSDFNGAIIIFRDSKFAAKMLMILNGSQFQGKVIRSGTINDM |||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ||||||||||||||||||||||||||||||||||||||| ..LERNEVKRLLASRNSKELETLICLFPLSDKVSPSLICQFLQEEIHINEKDIRKILLVS.FNGAIIIFRDSKFAAKMLMILNGSQFQGKVIRSGTINDM -------300-------310-------320-------330-------340-------350-------360-------370-------380-------390 -------400------- KRYYNNQQNHWHHHHHH ||||||||| KRYYNNQQN ---------
RDC restraints
-------300-------310-------320-------330-------340-------350-------360-------370-------380-------390 MFLERNEVKRLLASRNSKELETLICLFPLSDKVSPSLICQFLQEEIHINEKDIRKILLVSDFNGAIIIFRDSKFAAKMLMILNGSQFQGKVIRSGTINDM |||||||||||||| ||||||||| | | |||| |||| ||||| |||| |||||||||| | |||||||||||||| |||||| |||| |||||| | .FLERNEVKRLLASR.SKELETLIC..P.S.KVSP.LICQ.LQEEI.INEK.IRKILLVSDF.G.IIIFRDSKFAAKML.ILNGSQ.QGKV.RSGTIN.M -------300-------310-------320-------330-------340-------350-------360-------370-------380-------390 -------400------- KRYYNNQQNHWHHHHHH | | ||||| K.Y.NNQQN ---------