Chemical shift assignments of DRB4(1-153), a dsRNA binding protein in A. thaliana RNAi pathway
MDHVYKGQLQ AYALQHNLEL PVYANEREGP PHAPRFRCNV TFCGQTFQSS EFFPTLKSAE HAAAKIAVAS LTPQSPEGID VAYKNLLQEI AQKESSLLPF YATATSGPSH APTFTSTVEF AGKVFSGEEA KTKKLAEMSA AKVAFMSIKN GNS
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 87.7 % (1533 of 1748) | 89.2 % (806 of 904) | 83.8 % (576 of 687) | 96.2 % (151 of 157) |
Backbone | 97.8 % (878 of 898) | 97.0 % (295 of 304) | 98.0 % (442 of 451) | 98.6 % (141 of 143) |
Sidechain | 80.0 % (796 of 995) | 85.2 % (511 of 600) | 72.2 % (275 of 381) | 71.4 % (10 of 14) |
Aromatic | 35.6 % (57 of 160) | 66.3 % (53 of 80) | 5.0 % (4 of 80) | |
Methyl | 95.5 % (147 of 154) | 97.4 % (75 of 77) | 93.5 % (72 of 77) |
1. DRB4(1-153)
MDHVYKGQLQ AYALQHNLEL PVYANEREGP PHAPRFRCNV TFCGQTFQSS EFFPTLKSAE HAAAKIAVAS LTPQSPEGID VAYKNLLQEI AQKESSLLPF YATATSGPSH APTFTSTVEF AGKVFSGEEA KTKKLAEMSA AKVAFMSIKN GNSSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DRB4(1-153) | [U-100% 15N] | 0.5 mM | |
2 | Potassium phosphate buffer | natural abundance | 50 mM | |
3 | Na2SO4 | natural abundance | 100 mM | |
4 | DTT | natural abundance | 4 mM |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | DRB4(1-153) | [U-100% 13C; U-100% 15N] | 0.5 mM | |
6 | Potassium phosphate buffer | natural abundance | 50 mM | |
7 | Na2SO4 | natural abundance | 100 mM | |
8 | DTT | natural abundance | 4 mM |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | DRB4(1-153) | [U-10% 13C; U-100% 15N] | 0.5 mM | |
10 | Potassium phosphate buffer | natural abundance | 50 mM | |
11 | Na2SO4 | natural abundance | 100 mM | |
12 | DTT | natural abundance | 4 mM |
Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
13 | DRB4(1-153) | [U-100% 15N] | 0.5 mM | |
14 | Potassium phosphate buffer | natural abundance | 50 mM | |
15 | Na2SO4 | natural abundance | 100 mM | |
16 | DTT | natural abundance | 4 mM |
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 | water | protons | 4.705 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 | water | protons | 4.705 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 | water | protons | 4.705 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 | water | protons | 4.705 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DRB4(1-153) | [U-100% 15N] | 0.5 mM | |
2 | Potassium phosphate buffer | natural abundance | 50 mM | |
3 | Na2SO4 | natural abundance | 100 mM | |
4 | DTT | natural abundance | 4 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | DRB4(1-153) | [U-100% 13C; U-100% 15N] | 0.5 mM | |
6 | Potassium phosphate buffer | natural abundance | 50 mM | |
7 | Na2SO4 | natural abundance | 100 mM | |
8 | DTT | natural abundance | 4 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | DRB4(1-153) | [U-100% 13C; U-100% 15N] | 0.5 mM | |
6 | Potassium phosphate buffer | natural abundance | 50 mM | |
7 | Na2SO4 | natural abundance | 100 mM | |
8 | DTT | natural abundance | 4 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | DRB4(1-153) | [U-100% 13C; U-100% 15N] | 0.5 mM | |
6 | Potassium phosphate buffer | natural abundance | 50 mM | |
7 | Na2SO4 | natural abundance | 100 mM | |
8 | DTT | natural abundance | 4 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | DRB4(1-153) | [U-100% 13C; U-100% 15N] | 0.5 mM | |
6 | Potassium phosphate buffer | natural abundance | 50 mM | |
7 | Na2SO4 | natural abundance | 100 mM | |
8 | DTT | natural abundance | 4 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | DRB4(1-153) | [U-100% 13C; U-100% 15N] | 0.5 mM | |
6 | Potassium phosphate buffer | natural abundance | 50 mM | |
7 | Na2SO4 | natural abundance | 100 mM | |
8 | DTT | natural abundance | 4 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | DRB4(1-153) | [U-100% 13C; U-100% 15N] | 0.5 mM | |
6 | Potassium phosphate buffer | natural abundance | 50 mM | |
7 | Na2SO4 | natural abundance | 100 mM | |
8 | DTT | natural abundance | 4 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | DRB4(1-153) | [U-100% 13C; U-100% 15N] | 0.5 mM | |
6 | Potassium phosphate buffer | natural abundance | 50 mM | |
7 | Na2SO4 | natural abundance | 100 mM | |
8 | DTT | natural abundance | 4 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | DRB4(1-153) | [U-100% 13C; U-100% 15N] | 0.5 mM | |
6 | Potassium phosphate buffer | natural abundance | 50 mM | |
7 | Na2SO4 | natural abundance | 100 mM | |
8 | DTT | natural abundance | 4 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | DRB4(1-153) | [U-100% 13C; U-100% 15N] | 0.5 mM | |
6 | Potassium phosphate buffer | natural abundance | 50 mM | |
7 | Na2SO4 | natural abundance | 100 mM | |
8 | DTT | natural abundance | 4 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | DRB4(1-153) | [U-100% 13C; U-100% 15N] | 0.5 mM | |
6 | Potassium phosphate buffer | natural abundance | 50 mM | |
7 | Na2SO4 | natural abundance | 100 mM | |
8 | DTT | natural abundance | 4 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | DRB4(1-153) | [U-100% 13C; U-100% 15N] | 0.5 mM | |
6 | Potassium phosphate buffer | natural abundance | 50 mM | |
7 | Na2SO4 | natural abundance | 100 mM | |
8 | DTT | natural abundance | 4 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | DRB4(1-153) | [U-100% 13C; U-100% 15N] | 0.5 mM | |
6 | Potassium phosphate buffer | natural abundance | 50 mM | |
7 | Na2SO4 | natural abundance | 100 mM | |
8 | DTT | natural abundance | 4 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
13 | DRB4(1-153) | [U-100% 15N] | 0.5 mM | |
14 | Potassium phosphate buffer | natural abundance | 50 mM | |
15 | Na2SO4 | natural abundance | 100 mM | |
16 | DTT | natural abundance | 4 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | DRB4(1-153) | [U-10% 13C; U-100% 15N] | 0.5 mM | |
10 | Potassium phosphate buffer | natural abundance | 50 mM | |
11 | Na2SO4 | natural abundance | 100 mM | |
12 | DTT | natural abundance | 4 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
13 | DRB4(1-153) | [U-100% 15N] | 0.5 mM | |
14 | Potassium phosphate buffer | natural abundance | 50 mM | |
15 | Na2SO4 | natural abundance | 100 mM | |
16 | DTT | natural abundance | 4 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
13 | DRB4(1-153) | [U-100% 15N] | 0.5 mM | |
14 | Potassium phosphate buffer | natural abundance | 50 mM | |
15 | Na2SO4 | natural abundance | 100 mM | |
16 | DTT | natural abundance | 4 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | DRB4(1-153) | [U-100% 15N] | 0.5 mM | |
2 | Potassium phosphate buffer | natural abundance | 50 mM | |
3 | Na2SO4 | natural abundance | 100 mM | |
4 | DTT | natural abundance | 4 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | DRB4(1-153) | [U-100% 13C; U-100% 15N] | 0.5 mM | |
6 | Potassium phosphate buffer | natural abundance | 50 mM | |
7 | Na2SO4 | natural abundance | 100 mM | |
8 | DTT | natural abundance | 4 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints | combined_25138_2n3f.nef |
Input source #2: Coordindates | 2n3f.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 MDHVYKGQLQAYALQHNLELPVYANEREGPPHAPRFRCNVTFCGQTFQSSEFFPTLKSAEHAAAKIAVASLTPQSPEGIDVAYKNLLQEIAQKESSLLPF |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MDHVYKGQLQAYALQHNLELPVYANEREGPPHAPRFRCNVTFCGQTFQSSEFFPTLKSAEHAAAKIAVASLTPQSPEGIDVAYKNLLQEIAQKESSLLPF -------110-------120-------130-------140-------150--- YATATSGPSHAPTFTSTVEFAGKVFSGEEAKTKKLAEMSAAKVAFMSIKNGNS ||||||||||||||||||||||||||||||||||||||||||||||||||||| YATATSGPSHAPTFTSTVEFAGKVFSGEEAKTKKLAEMSAAKVAFMSIKNGNS
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 153 | 0 | 0 | 100.0 |
Content subtype: combined_25138_2n3f.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MDHVYKGQLQAYALQHNLELPVYANEREGPPHAPRFRCNVTFCGQTFQSSEFFPTLKSAEHAAAKIAVASLTPQSPEGIDVAYKNLLQEIAQKESSLLPF ||||||||||||||||||||||||||| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..HVYKGQLQAYALQHNLELPVYANEREG.PHAPRFRCNVTFCGQTFQSSEFFPTLKSAEHAAAKIAVASLTPQSPEGIDVAYKNLLQEIAQKESSLLPF -------110-------120-------130-------140-------150--- YATATSGPSHAPTFTSTVEFAGKVFSGEEAKTKKLAEMSAAKVAFMSIKNGNS ||||||||||||||||||||||||||||||||||||||||||||||||||||| YATATSGPSHAPTFTSTVEFAGKVFSGEEAKTKKLAEMSAAKVAFMSIKNGNS
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 904 | 797 | 88.2 |
13C chemical shifts | 687 | 559 | 81.4 |
15N chemical shifts | 160 | 148 | 92.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 304 | 295 | 97.0 |
13C chemical shifts | 306 | 300 | 98.0 |
15N chemical shifts | 143 | 139 | 97.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 600 | 502 | 83.7 |
13C chemical shifts | 381 | 259 | 68.0 |
15N chemical shifts | 17 | 9 | 52.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 80 | 77 | 96.3 |
13C chemical shifts | 80 | 70 | 87.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 80 | 52 | 65.0 |
13C chemical shifts | 80 | 0 | 0.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MDHVYKGQLQAYALQHNLELPVYANEREGPPHAPRFRCNVTFCGQTFQSSEFFPTLKSAEHAAAKIAVASLTPQSPEGIDVAYKNLLQEIAQKESSLLPF |||||||||||||||||||||||||||||||||||||||||||||| |||||||||||||||||||||| |||||||||||||||||||||||| ..HVYKGQLQAYALQHNLELPVYANEREGPPHAPRFRCNVTFCGQTFQ..EFFPTLKSAEHAAAKIAVASLT....EGIDVAYKNLLQEIAQKESSLLPF --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130-------140-------150--- YATATSGPSHAPTFTSTVEFAGKVFSGEEAKTKKLAEMSAAKVAFMSIKNGNS ||||||||||||||||||||||||||||||||||||||||||||||||||| YATATSGPSHAPTFTSTVEFAGKVFSGEEAKTKKLAEMSAAKVAFMSIKNG -------110-------120-------130-------140-------150-
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MDHVYKGQLQAYALQHNLELPVYANEREGPPHAPRFRCNVTFCGQTFQSSEFFPTLKSAEHAAAKIAVASLTPQSPEGIDVAYKNLLQEIAQKESSLLPF |||||||||||| | | | | ||| ||| | | ||||||||||||||||| |||||||||||| | ....YKGQLQAYALQH.....V.A.E.E......RFR.NVT.....F.....F..LKSAEHAAAKIAVASLT..........YKNLLQEIAQKE.....F --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130-------140-------150--- YATATSGPSHAPTFTSTVEFAGKVFSGEEAKTKKLAEMSAAKVAFMSIKNGNS | | | |||| | | ||||||||||||||||| .A.A..........T.TVEF..K.F.......KKLAEMSAAKVAFMSIK -------110-------120-------130-------140---------
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MDHVYKGQLQAYALQHNLELPVYANEREGPPHAPRFRCNVTFCGQTFQSSEFFPTLKSAEHAAAKIAVASLTPQSPEGIDVAYKNLLQEIAQKESSLLPF |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ||||||||||||||| |||| ...VYKGQLQAYALQHNLELPVYANEREGPPHAPRFRCNVTFCGQTFQSSEFFPTLKSAEHAAAKIAVASL.........VAYKNLLQEIAQKES.LLPF --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130-------140-------150--- YATATSGPSHAPTFTSTVEFAGKVFSGEEAKTKKLAEMSAAKVAFMSIKNGNS |||||||||||||||||||||||||||||||||||||||||||||||||| YATATSGPSHAPTFTSTVEFAGKVFSGEEAKTKKLAEMSAAKVAFMSIKN -------110-------120-------130-------140-------150
RDC restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MDHVYKGQLQAYALQHNLELPVYANEREGPPHAPRFRCNVTFCGQTFQSSEFFPTLKSAEHAAAKIAVASLTPQSPEGIDVAYKNLLQEIAQKESSLLPF || ||| || | | ||||||| || ||||||| ||| || ||| ||||| ||||||||| || |||||| |||||| || || || | ...VY..QLQ..AL...L.L..YANEREG..HA.RFRCNVT.CGQ.FQ..EFF.TLKSA....AKIAVASLT.QS.EGIDVA.KNLLQE.AQ.ES.LL.F --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130-------140-------150--- YATATSGPSHAPTFTSTVEFAGKVFSGEEAKTKKLAEMSAAKVAFMSIKNGNS ||||| ||||||||||||||||||||| ||||||||||||||| YATAT.......TFTSTVEFAGKVFSGEEAKTK.LAEMSAAKVAFMSIK -------110-------120-------130-------140---------