Solution Structures of RadA intein from Pyrococcus horikoshii
AFARDTEVYY ENDTVPHMES IEEMYSKYAS MNGELPFDNG YAVPLDNVFV YTLDIASGEI KKTRASYIYR EKVEKLIEIK LSSGYSLKVT PSHPVLLFRD GLQWVPAAEV KPGDVVVGVR EEVLRRRIIS KGELEFHEVS SVRIIDYNNW VYDLVIPETH NFIAPNGLVL HNAQ
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 89.5 % (1847 of 2063) | 91.7 % (978 of 1066) | 86.0 % (704 of 819) | 92.7 % (165 of 178) |
Backbone | 94.2 % (966 of 1026) | 94.3 % (328 of 348) | 94.3 % (484 of 513) | 93.3 % (154 of 165) |
Sidechain | 86.4 % (1039 of 1202) | 90.5 % (650 of 718) | 80.3 % (378 of 471) | 84.6 % (11 of 13) |
Aromatic | 44.8 % (86 of 192) | 71.9 % (69 of 96) | 16.0 % (15 of 94) | 100.0 % (2 of 2) |
Methyl | 96.8 % (209 of 216) | 95.4 % (103 of 108) | 98.1 % (106 of 108) |
1. PhoRadA intein
AFARDTEVYY ENDTVPHMES IEEMYSKYAS MNGELPFDNG YAVPLDNVFV YTLDIASGEI KKTRASYIYR EKVEKLIEIK LSSGYSLKVT PSHPVLLFRD GLQWVPAAEV KPGDVVVGVR EEVLRRRIIS KGELEFHEVS SVRIIDYNNW VYDLVIPETH NFIAPNGLVL HNAQSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PhoRadA intein | [U-99% 13C; U-99% 15N] | 0.4 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
1H | water | protons | 4.7 ppm | internal | direct | 1.0 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
1H | water | protons | 4.7 ppm | internal | direct | 1.0 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
1H | water | protons | 4.7 ppm | internal | direct | 1.0 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
1H | water | protons | 4.7 ppm | internal | direct | 1.0 |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PhoRadA intein | [U-99% 13C; U-99% 15N] | 0.4 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PhoRadA intein | [U-99% 13C; U-99% 15N] | 0.4 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PhoRadA intein | [U-99% 13C; U-99% 15N] | 0.4 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PhoRadA intein | [U-99% 13C; U-99% 15N] | 0.4 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PhoRadA intein | [U-99% 13C; U-99% 15N] | 0.4 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PhoRadA intein | [U-99% 13C; U-99% 15N] | 0.4 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PhoRadA intein | [U-99% 13C; U-99% 15N] | 0.4 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PhoRadA intein | [U-99% 13C; U-99% 15N] | 0.4 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PhoRadA intein | [U-99% 13C; U-99% 15N] | 0.4 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PhoRadA intein | [U-99% 13C; U-99% 15N] | 0.4 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PhoRadA intein | [U-99% 13C; U-99% 15N] | 0.4 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PhoRadA intein | [U-99% 13C; U-99% 15N] | 0.4 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PhoRadA intein | [U-99% 13C; U-99% 15N] | 0.4 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PhoRadA intein | [U-99% 13C; U-99% 15N] | 0.4 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PhoRadA intein | [U-99% 13C; U-99% 15N] | 0.4 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PhoRadA intein | [U-99% 13C; U-99% 15N] | 0.4 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PhoRadA intein | [U-99% 13C; U-99% 15N] | 0.4 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PhoRadA intein | [U-99% 13C; U-99% 15N] | 0.4 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PhoRadA intein | [U-99% 13C; U-99% 15N] | 0.4 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PhoRadA intein | [U-99% 13C; U-99% 15N] | 0.4 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PhoRadA intein | [U-99% 13C; U-99% 15N] | 0.4 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_18320_2lqm.nef |
Input source #2: Coordindates | 2lqm.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 AFARDTEVYYENDTVPHMESIEEMYSKYASMNGELPFDNGYAVPLDNVFVYTLDIASGEIKKTRASYIYREKVEKLIEIKLSSGYSLKVTPSHPVLLFRD |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| AFARDTEVYYENDTVPHMESIEEMYSKYASMNGELPFDNGYAVPLDNVFVYTLDIASGEIKKTRASYIYREKVEKLIEIKLSSGYSLKVTPSHPVLLFRD -------110-------120-------130-------140-------150-------160-------170---- GLQWVPAAEVKPGDVVVGVREEVLRRRIISKGELEFHEVSSVRIIDYNNWVYDLVIPETHNFIAPNGLVLHNAQ |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GLQWVPAAEVKPGDVVVGVREEVLRRRIISKGELEFHEVSSVRIIDYNNWVYDLVIPETHNFIAPNGLVLHNAQ
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 174 | 0 | 0 | 100.0 |
Content subtype: combined_18320_2lqm.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 AFARDTEVYYENDTVPHMESIEEMYSKYASMNGELPFDNGYAVPLDNVFVYTLDIASGEIKKTRASYIYREKVEKLIEIKLSSGYSLKVTPSHPVLLFRD |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| AFARDTEVYYENDTVPHMESIEEMYSKYASMNGELPFDNGYAVPLDNVFVYTLDIASGEIKKTRASYIYREKVEKLIEIKLSSGYSLKVTPSHPVLLFRD --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130-------140-------150-------160-------170---- GLQWVPAAEVKPGDVVVGVREEVLRRRIISKGELEFHEVSSVRIIDYNNWVYDLVIPETHNFIAPNGLVLHNAQ |||||||||||||||||||| |||| ||||||||||||||||||||||||||||||||||||||||||||| GLQWVPAAEVKPGDVVVGVR.EVLR..IISKGELEFHEVSSVRIIDYNNWVYDLVIPETHNFIAPNGLVLHN -------110-------120-------130-------140-------150-------160-------170--
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
39 | ASN | CG | 177.875 |
47 | ASN | CG | 177.728 |
103 | GLN | CD | 180.096 |
148 | ASN | CG | 176.961 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 1066 | 984 | 92.3 |
13C chemical shifts | 819 | 704 | 86.0 |
15N chemical shifts | 187 | 162 | 86.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 348 | 328 | 94.3 |
13C chemical shifts | 348 | 326 | 93.7 |
15N chemical shifts | 165 | 150 | 90.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 718 | 656 | 91.4 |
13C chemical shifts | 471 | 378 | 80.3 |
15N chemical shifts | 22 | 12 | 54.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 111 | 110 | 99.1 |
13C chemical shifts | 111 | 110 | 99.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 96 | 69 | 71.9 |
13C chemical shifts | 94 | 15 | 16.0 |
15N chemical shifts | 2 | 2 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 AFARDTEVYYENDTVPHMESIEEMYSKYASMNGELPFDNGYAVPLDNVFVYTLDIASGEIKKTRASYIYREKVEKLIEIKLSSGYSLKVTPSHPVLLFRD |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| AFARDTEVYYENDTVPHMESIEEMYSKYASMNGELPFDNGYAVPLDNVFVYTLDIASGEIKKTRASYIYREKVEKLIEIKLSSGYSLKVTPSHPVLLFRD --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130-------140-------150-------160-------170---- GLQWVPAAEVKPGDVVVGVREEVLRRRIISKGELEFHEVSSVRIIDYNNWVYDLVIPETHNFIAPNGLVLHNAQ |||||||||||||||||||| |||| ||||||||||||||||||||||||||||||||||||||||||||| GLQWVPAAEVKPGDVVVGVR.EVLR..IISKGELEFHEVSSVRIIDYNNWVYDLVIPETHNFIAPNGLVLHN -------110-------120-------130-------140-------150-------160-------170--
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 AFARDTEVYYENDTVPHMESIEEMYSKYASMNGELPFDNGYAVPLDNVFVYTLDIASGEIKKTRASYIYREKVEKLIEIKLSSGYSLKVTPSHPVLLFRD |||||||||||| ||||||||||||||||||||||||| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| AFARDTEVYYEN.TVPHMESIEEMYSKYASMNGELPFD.GYAVPLDNVFVYTLDIASGEIKKTRASYIYREKVEKLIEIKLSSGYSLKVTPSHPVLLFRD --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130-------140-------150-------160-------170---- GLQWVPAAEVKPGDVVVGVREEVLRRRIISKGELEFHEVSSVRIIDYNNWVYDLVIPETHNFIAPNGLVLHNAQ |||||||||||||||||||||||||| ||||||||||||||||||| ||||||||||||||||||||||||| GLQWVPAAEVKPGDVVVGVREEVLRR.IISKGELEFHEVSSVRIID.NNWVYDLVIPETHNFIAPNGLVLHN -------110-------120-------130-------140-------150-------160-------170--