Solution structure of a C terminal fragment of the neuronal isoform of the polypyrimidine tract binding protein (nPTB)
GRVGMPGVSA GGNTVLLVSN LNEEMVTPQS LFTLFGVYGD VQRVKILYNK KDSALIQMAD GNQSQLAMNH LNGQKMYGKI IRVTLSKHQT VQLPREGLDD QGLTKDFGNS PLHRFKKPGS KNFQNIFPPS ATLHLSNIPP SVAEEDLRTL FANTGGTVKA FKFFQDHKMA LLQMATVEEA IQALIDLHNY NLGENHHLRV SFSKSTI
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 69.9 % (1697 of 2429) | 74.7 % (944 of 1264) | 58.6 % (550 of 939) | 89.8 % (203 of 226) |
Backbone | 76.1 % (932 of 1224) | 87.7 % (370 of 422) | 63.2 % (382 of 604) | 90.9 % (180 of 198) |
Sidechain | 66.2 % (924 of 1395) | 68.2 % (574 of 842) | 62.3 % (327 of 525) | 82.1 % (23 of 28) |
Aromatic | 28.7 % (50 of 174) | 51.7 % (45 of 87) | 5.7 % (5 of 87) | |
Methyl | 89.0 % (210 of 236) | 88.1 % (104 of 118) | 89.8 % (106 of 118) |
1. nPTB
GRVGMPGVSA GGNTVLLVSN LNEEMVTPQS LFTLFGVYGD VQRVKILYNK KDSALIQMAD GNQSQLAMNH LNGQKMYGKI IRVTLSKHQT VQLPREGLDD QGLTKDFGNS PLHRFKKPGS KNFQNIFPPS ATLHLSNIPP SVAEEDLRTL FANTGGTVKA FKFFQDHKMA LLQMATVEEA IQALIDLHNY NLGENHHLRV SFSKSTISolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | nPTB | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | sodium chloride | natural abundance | 20 mM | |
3 | sodium phosphate | natural abundance | 10 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | [U-100% 2H] | 10 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | nPTB | [U-100% 15N] | 1 mM | |
7 | sodium chloride | natural abundance | 20 mM | |
8 | sodium phosphate | natural abundance | 10 mM | |
9 | D2O | [U-100% 2H] | 100 % |
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 DRX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | nPTB | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | sodium chloride | natural abundance | 20 mM | |
3 | sodium phosphate | natural abundance | 10 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | [U-100% 2H] | 10 % |
Bruker DRX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | nPTB | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | sodium chloride | natural abundance | 20 mM | |
3 | sodium phosphate | natural abundance | 10 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | [U-100% 2H] | 10 % |
Bruker DRX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | nPTB | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | sodium chloride | natural abundance | 20 mM | |
3 | sodium phosphate | natural abundance | 10 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | [U-100% 2H] | 10 % |
Bruker DRX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | nPTB | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | sodium chloride | natural abundance | 20 mM | |
3 | sodium phosphate | natural abundance | 10 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | [U-100% 2H] | 10 % |
Bruker DRX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | nPTB | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | sodium chloride | natural abundance | 20 mM | |
3 | sodium phosphate | natural abundance | 10 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | [U-100% 2H] | 10 % |
Bruker DRX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | nPTB | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | sodium chloride | natural abundance | 20 mM | |
3 | sodium phosphate | natural abundance | 10 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | [U-100% 2H] | 10 % |
Bruker DRX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | nPTB | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | sodium chloride | natural abundance | 20 mM | |
3 | sodium phosphate | natural abundance | 10 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | [U-100% 2H] | 10 % |
Bruker DRX - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | nPTB | [U-100% 15N] | 1 mM | |
7 | sodium chloride | natural abundance | 20 mM | |
8 | sodium phosphate | natural abundance | 10 mM | |
9 | D2O | [U-100% 2H] | 100 % |
Bruker DRX - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 5.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | nPTB | [U-100% 15N] | 1 mM | |
7 | sodium chloride | natural abundance | 20 mM | |
8 | sodium phosphate | natural abundance | 10 mM | |
9 | D2O | [U-100% 2H] | 100 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints | combined_19737_2mju.nef |
Input source #2: Coordindates | 2mju.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
---330-------340-------350-------360-------370-------380-------390-------400-------410-------420---- GRVGMPGVSAGGNTVLLVSNLNEEMVTPQSLFTLFGVYGDVQRVKILYNKKDSALIQMADGNQSQLAMNHLNGQKMYGKIIRVTLSKHQTVQLPREGLDD |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GRVGMPGVSAGGNTVLLVSNLNEEMVTPQSLFTLFGVYGDVQRVKILYNKKDSALIQMADGNQSQLAMNHLNGQKMYGKIIRVTLSKHQTVQLPREGLDD --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 ---430-------440-------450-------460-------470-------480-------490-------500-------510-------520---- QGLTKDFGNSPLHRFKKPGSKNFQNIFPPSATLHLSNIPPSVAEEDLRTLFANTGGTVKAFKFFQDHKMALLQMATVEEAIQALIDLHNYNLGENHHLRV |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| QGLTKDFGNSPLHRFKKPGSKNFQNIFPPSATLHLSNIPPSVAEEDLRTLFANTGGTVKAFKFFQDHKMALLQMATVEEAIQALIDLHNYNLGENHHLRV -------110-------120-------130-------140-------150-------160-------170-------180-------190-------200 ---530- SFSKSTI ||||||| SFSKSTI -------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 207 | 0 | 0 | 100.0 |
Content subtype: combined_19737_2mju.nef
Assigned chemical shifts
---330-------340-------350-------360-------370-------380-------390-------400-------410-------420---- GRVGMPGVSAGGNTVLLVSNLNEEMVTPQSLFTLFGVYGDVQRVKILYNKKDSALIQMADGNQSQLAMNHLNGQKMYGKIIRVTLSKHQTVQLPREGLDD ||||||||||||||||||||||||||||||||| |||||| ||||||||||||||||||||||||||||||||||| ||||||||||| .......VSAGGNTVLLVSNLNEEMVTPQSLFTLFGVYGD.QRVKIL....DSALIQMADGNQSQLAMNHLNGQKMYGKIIRVTLS...TVQLPREGLDD ---430-------440-------450-------460-------470-------480-------490-------500-------510-------520---- QGLTKDFGNSPLHRFKKPGSKNFQNIFPPSATLHLSNIPPSVAEEDLRTLFANTGGTVKAFKFFQDHKMALLQMATVEEAIQALIDLHNYNLGENHHLRV ||||||||||||||| | ||| |||||||||| |||||||||||||||||||||||| ||||||||||||||||||||||||||||||||| QGLTKDFGNSPLHRF...G.....NIF.PSATLHLSNI.PSVAEEDLRTLFANTGGTVKAFKF....KMALLQMATVEEAIQALIDLHNYNLGENHHLRV ---530- SFSKSTI ||||||| SFSKSTI
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 1264 | 899 | 71.1 |
13C chemical shifts | 939 | 472 | 50.3 |
15N chemical shifts | 233 | 194 | 83.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 422 | 357 | 84.6 |
13C chemical shifts | 414 | 171 | 41.3 |
15N chemical shifts | 198 | 172 | 86.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 842 | 542 | 64.4 |
13C chemical shifts | 525 | 301 | 57.3 |
15N chemical shifts | 35 | 22 | 62.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 125 | 102 | 81.6 |
13C chemical shifts | 125 | 102 | 81.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 87 | 42 | 48.3 |
13C chemical shifts | 87 | 0 | 0.0 |
Distance restraints
---330-------340-------350-------360-------370-------380-------390-------400-------410-------420---- GRVGMPGVSAGGNTVLLVSNLNEEMVTPQSLFTLFGVYGDVQRVKILYNKKDSALIQMADGNQSQLAMNHLNGQKMYGKIIRVTLSKHQTVQLPREGLDD ||||||||||||||||||||||||||||||||| |||||| ||||||||||||||||||||||||||||||||||| ||||||||||| .......VSAGGNTVLLVSNLNEEMVTPQSLFTLFGVYGD.QRVKIL....DSALIQMADGNQSQLAMNHLNGQKMYGKIIRVTLS...TVQLPREGLDD ---430-------440-------450-------460-------470-------480-------490-------500-------510-------520---- QGLTKDFGNSPLHRFKKPGSKNFQNIFPPSATLHLSNIPPSVAEEDLRTLFANTGGTVKAFKFFQDHKMALLQMATVEEAIQALIDLHNYNLGENHHLRV ||||||||||||| | ||| |||||||||| |||||||||||||||||||||||| ||||||||||||||||||||||||||||||||| QGLTKDFGNSPLH.F.........NIF.PSATLHLSNI.PSVAEEDLRTLFANTGGTVKAFKF....KMALLQMATVEEAIQALIDLHNYNLGENHHLRV ---530- SFSKSTI ||||||| SFSKSTI