Low resolution structure of RNA-binding subunit of the TRAMP complex
KEAAPKCNNC SQRGHLKKDC PHIICSYCGA TDDHYSRHCP KAIQCSKCDE VGHYRSQCPH KWKKVQCTLC KSKKHSKERC PSIWRAYILV DDNEKAKPKV LPFHTIYCYN CGGKGHFGDD CKEK
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 51.5 % (752 of 1460) | 52.3 % (405 of 775) | 46.1 % (257 of 558) | 70.9 % (90 of 127) |
Backbone | 65.6 % (479 of 730) | 71.8 % (178 of 248) | 58.1 % (212 of 365) | 76.1 % (89 of 117) |
Sidechain | 43.6 % (369 of 847) | 43.1 % (227 of 527) | 45.5 % (141 of 310) | 10.0 % (1 of 10) |
Aromatic | 13.3 % (17 of 128) | 26.6 % (17 of 64) | 0.0 % (0 of 62) | 0.0 % (0 of 2) |
Methyl | 59.5 % (44 of 74) | 59.5 % (22 of 37) | 59.5 % (22 of 37) |
1. RNA-binding subunit of the TRAMP complex
KEAAPKCNNC SQRGHLKKDC PHIICSYCGA TDDHYSRHCP KAIQCSKCDE VGHYRSQCPH KWKKVQCTLC KSKKHSKERC PSIWRAYILV DDNEKAKPKV LPFHTIYCYN CGGKGHFGDD CKEKSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RNA-binding_sub | [U-99% 13C; U-99% 15N] | 100 uM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | sodium phosphate buffer | natural abundance | 50 mM | |
5 | sodium chloride | natural abundance | 500 mM | |
6 | beta-mercaptoethanol | natural abundance | 10 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 | DSS | methyl protons | 0.0 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 | DSS | methyl protons | 0.0 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 | DSS | methyl protons | 0.0 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 293 K, pH 8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RNA-binding_sub | [U-99% 13C; U-99% 15N] | 100 uM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | sodium phosphate buffer | natural abundance | 50 mM | |
5 | sodium chloride | natural abundance | 500 mM | |
6 | beta-mercaptoethanol | natural abundance | 10 mM |
Bruker Avance - 900 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RNA-binding_sub | [U-99% 13C; U-99% 15N] | 100 uM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | sodium phosphate buffer | natural abundance | 50 mM | |
5 | sodium chloride | natural abundance | 500 mM | |
6 | beta-mercaptoethanol | natural abundance | 10 mM |
Bruker Avance - 900 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RNA-binding_sub | [U-99% 13C; U-99% 15N] | 100 uM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | sodium phosphate buffer | natural abundance | 50 mM | |
5 | sodium chloride | natural abundance | 500 mM | |
6 | beta-mercaptoethanol | natural abundance | 10 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RNA-binding_sub | [U-99% 13C; U-99% 15N] | 100 uM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | sodium phosphate buffer | natural abundance | 50 mM | |
5 | sodium chloride | natural abundance | 500 mM | |
6 | beta-mercaptoethanol | natural abundance | 10 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RNA-binding_sub | [U-99% 13C; U-99% 15N] | 100 uM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | sodium phosphate buffer | natural abundance | 50 mM | |
5 | sodium chloride | natural abundance | 500 mM | |
6 | beta-mercaptoethanol | natural abundance | 10 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RNA-binding_sub | [U-99% 13C; U-99% 15N] | 100 uM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | sodium phosphate buffer | natural abundance | 50 mM | |
5 | sodium chloride | natural abundance | 500 mM | |
6 | beta-mercaptoethanol | natural abundance | 10 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RNA-binding_sub | [U-99% 13C; U-99% 15N] | 100 uM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | sodium phosphate buffer | natural abundance | 50 mM | |
5 | sodium chloride | natural abundance | 500 mM | |
6 | beta-mercaptoethanol | natural abundance | 10 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_18049_2lli.nef |
Input source #2: Coordindates | 2lli.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 | True (see coodinates for details) |
Whether the assembly contains a cyclic polymer | None |
Overall data processing status | Error |
Disulfide bonds
NoneOther bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
Ptnr_site_1 | Ptnr_site_2 | Redox_state_prediction_1 | Redox_state_prediction_2 | Distance (Å) |
---|---|---|---|---|
1:53:HIS:NE2 | 2:3:ZN:ZN | unknown | unknown | n/a |
1:34:HIS:NE2 | 2:4:ZN:ZN | unknown | unknown | n/a |
1:116:HIS:NE2 | 2:1:ZN:ZN | unknown | unknown | n/a |
1:75:HIS:NE2 | 2:2:ZN:ZN | unknown | unknown | n/a |
1:15:HIS:NE2 | 2:5:ZN:ZN | unknown | unknown | n/a |
1:39:CYS:SG | 2:4:ZN:ZN | unknown | unknown | n/a |
1:48:CYS:SG | 2:3:ZN:ZN | unknown | unknown | n/a |
1:20:CYS:SG | 2:5:ZN:ZN | unknown | unknown | n/a |
1:80:CYS:SG | 2:2:ZN:ZN | unknown | unknown | n/a |
1:111:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:121:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:45:CYS:SG | 2:3:ZN:ZN | unknown | unknown | n/a |
1:70:CYS:SG | 2:2:ZN:ZN | unknown | unknown | n/a |
1:25:CYS:SG | 2:4:ZN:ZN | unknown | unknown | n/a |
1:10:CYS:SG | 2:5:ZN:ZN | unknown | unknown | n/a |
1:58:CYS:SG | 2:3:ZN:ZN | unknown | unknown | n/a |
1:108:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:67:CYS:SG | 2:2:ZN:ZN | unknown | unknown | n/a |
1:7:CYS:SG | 2:5:ZN:ZN | unknown | unknown | n/a |
1:28:CYS:SG | 2:4:ZN:ZN | unknown | unknown | n/a |
Non-standard residues
Chain_ID | Seq_ID | Comp_ID | Chem_comp_name | Experimental evidences |
---|---|---|---|---|
B | 1 | ZN | ZINC ION | Distance restraints |
B | 2 | ZN | ZINC ION | None |
B | 3 | ZN | ZINC ION | None |
B | 4 | ZN | ZINC ION | None |
B | 5 | ZN | ZINC ION | None |
Sequence alignments
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 KEAAPKCNNCSQRGHLKKDCPHIICSYCGATDDHYSRHCPKAIQCSKCDEVGHYRSQCPHKWKKVQCTLCKSKKHSKERCPSIWRAYILVDDNEKAKPKV |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| KEAAPKCNNCSQRGHLKKDCPHIICSYCGATDDHYSRHCPKAIQCSKCDEVGHYRSQCPHKWKKVQCTLCKSKKHSKERCPSIWRAYILVDDNEKAKPKV -------110-------120---- LPFHTIYCYNCGGKGHFGDDCKEK |||||||||||||||||||||||| LPFHTIYCYNCGGKGHFGDDCKEK
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 124 | 0 | 0 | 100.0 |
Content subtype: combined_18049_2lli.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 KEAAPKCNNCSQRGHLKKDCPHIICSYCGATDDHYSRHCPKAIQCSKCDEVGHYRSQCPHKWKKVQCTLCKSKKHSKERCPSIWRAYILVDDNEKAKPKV |||||||||||||||||||||||||||||||||||||||||||||||||||||||| |||||||||| || | ||||||| ||||||||||| ..AAPKCNNCSQRGHLKKDCPHIICSYCGATDDHYSRHCPKAIQCSKCDEVGHYRSQC...WKKVQCTLCK..KH..E..PSIWRAY.LVDDNEKAKPK. --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120---- LPFHTIYCYNCGGKGHFGDDCKEK || ||||||||||||||||| .PF.TIYCYNCGGKGHFGDDC -------110-------120-
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
34 | HIS | HD1 | 7.62 |
53 | HIS | HD1 | 8.6 |
116 | HIS | HD1 | 6.934 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 775 | 384 | 49.5 |
13C chemical shifts | 558 | 240 | 43.0 |
15N chemical shifts | 132 | 89 | 67.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 248 | 177 | 71.4 |
13C chemical shifts | 248 | 106 | 42.7 |
15N chemical shifts | 117 | 89 | 76.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 527 | 207 | 39.3 |
13C chemical shifts | 310 | 134 | 43.2 |
15N chemical shifts | 15 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 37 | 22 | 59.5 |
13C chemical shifts | 37 | 22 | 59.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 64 | 17 | 26.6 |
13C chemical shifts | 62 | 0 | 0.0 |
15N chemical shifts | 2 | 0 | 0.0 |
Covalent bonds
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 KEAAPKCNNCSQRGHLKKDCPHIICSYCGATDDHYSRHCPKAIQCSKCDEVGHYRSQCPHKWKKVQCTLCKSKKHSKERCPSIWRAYILVDDNEKAKPKV ||||||||||| ||||||| || |||||||||| ||||||||| ||||||| || ||| ||||| | || || ||||| ..AAPKCNNCSQR.HLKKDCP.II.SYCGATDDHY...CPKAIQCSK.DEVGHYR.QC....KKV.CTLCK......E..PS...AY.......KAKPK. --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120---- LPFHTIYCYNCGGKGHFGDDCKEK || |||||||| |||||| .PF...YCYNCGGK.HFGDDC -------110-------120-
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 KEAAPKCNNCSQRGHLKKDCPHIICSYCGATDDHYSRHCPKAIQCSKCDEVGHYRSQCPHKWKKVQCTLCKSKKHSKERCPSIWRAYILVDDNEKAKPKV || |||||||| |||||| ||||||| ||||||||| | ||||||||| |||||| ||||||||||||||||||||| |||| ||||||||| | || KE...KCNNCSQR.HLKKDC.HIICSYC..TDDHYSRHC.K.IQCSKCDEV.HYRSQC.HKWKKVQCTLCKSKKHSKERC.SIWR.YILVDDNEK.K.KV -------110-------120---- LPFHTIYCYNCGGKGHFGDDCKEK | ||||||||| | || |||||| L.FHTIYCYNC..K.HF.DDCKEK