Sequence-specific 1H, 13C, and 15N backbone assignment of Fibronectin type III 14
GHMDAPSNLR FLATTPNSLL VSWQPPRARI TGYIIKYEKP GSPPREVVPR PRPGVTEATI TGLEPGTEYT IYVIALKNNQ KSEPLIGRKK T
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 91.5 % (982 of 1073) | 91.2 % (516 of 566) | 91.9 % (387 of 421) | 91.9 % (79 of 86) |
Backbone | 91.6 % (478 of 522) | 91.5 % (162 of 177) | 91.7 % (244 of 266) | 91.1 % (72 of 79) |
Sidechain | 90.6 % (575 of 635) | 89.5 % (348 of 389) | 92.1 % (220 of 239) | 100.0 % (7 of 7) |
Aromatic | 65.5 % (38 of 58) | 65.5 % (19 of 29) | 64.3 % (18 of 28) | 100.0 % (1 of 1) |
Methyl | 94.2 % (98 of 104) | 92.3 % (48 of 52) | 96.2 % (50 of 52) |
1. FNIII14
GHMDAPSNLR FLATTPNSLL VSWQPPRARI TGYIIKYEKP GSPPREVVPR PRPGVTEATI TGLEPGTEYT IYVIALKNNQ KSEPLIGRKK TSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FNIII14 | [U-13C; U-15N] | 1 mM | |
2 | NaCl | natural abundance | 137 mM | |
3 | KCl | natural abundance | 2.7 mM | |
4 | Na2HPO4 | natural abundance | 10 mM | |
5 | KH2PO4 | natural abundance | 1.4 mM | |
6 | NaN3 | natural abundance | 0.02 % |
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 |
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 298 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FNIII14 | [U-13C; U-15N] | 1 mM | |
2 | NaCl | natural abundance | 137 mM | |
3 | KCl | natural abundance | 2.7 mM | |
4 | Na2HPO4 | natural abundance | 10 mM | |
5 | KH2PO4 | natural abundance | 1.4 mM | |
6 | NaN3 | natural abundance | 0.02 % |
Bruker DRX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FNIII14 | [U-13C; U-15N] | 1 mM | |
2 | NaCl | natural abundance | 137 mM | |
3 | KCl | natural abundance | 2.7 mM | |
4 | Na2HPO4 | natural abundance | 10 mM | |
5 | KH2PO4 | natural abundance | 1.4 mM | |
6 | NaN3 | natural abundance | 0.02 % |
Bruker DRX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FNIII14 | [U-13C; U-15N] | 1 mM | |
2 | NaCl | natural abundance | 137 mM | |
3 | KCl | natural abundance | 2.7 mM | |
4 | Na2HPO4 | natural abundance | 10 mM | |
5 | KH2PO4 | natural abundance | 1.4 mM | |
6 | NaN3 | natural abundance | 0.02 % |
Bruker DRX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FNIII14 | [U-13C; U-15N] | 1 mM | |
2 | NaCl | natural abundance | 137 mM | |
3 | KCl | natural abundance | 2.7 mM | |
4 | Na2HPO4 | natural abundance | 10 mM | |
5 | KH2PO4 | natural abundance | 1.4 mM | |
6 | NaN3 | natural abundance | 0.02 % |
Bruker DRX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FNIII14 | [U-13C; U-15N] | 1 mM | |
2 | NaCl | natural abundance | 137 mM | |
3 | KCl | natural abundance | 2.7 mM | |
4 | Na2HPO4 | natural abundance | 10 mM | |
5 | KH2PO4 | natural abundance | 1.4 mM | |
6 | NaN3 | natural abundance | 0.02 % |
Bruker DRX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FNIII14 | [U-13C; U-15N] | 1 mM | |
2 | NaCl | natural abundance | 137 mM | |
3 | KCl | natural abundance | 2.7 mM | |
4 | Na2HPO4 | natural abundance | 10 mM | |
5 | KH2PO4 | natural abundance | 1.4 mM | |
6 | NaN3 | natural abundance | 0.02 % |
Bruker DRX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FNIII14 | [U-13C; U-15N] | 1 mM | |
2 | NaCl | natural abundance | 137 mM | |
3 | KCl | natural abundance | 2.7 mM | |
4 | Na2HPO4 | natural abundance | 10 mM | |
5 | KH2PO4 | natural abundance | 1.4 mM | |
6 | NaN3 | natural abundance | 0.02 % |
Bruker DRX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FNIII14 | [U-13C; U-15N] | 1 mM | |
2 | NaCl | natural abundance | 137 mM | |
3 | KCl | natural abundance | 2.7 mM | |
4 | Na2HPO4 | natural abundance | 10 mM | |
5 | KH2PO4 | natural abundance | 1.4 mM | |
6 | NaN3 | natural abundance | 0.02 % |
Bruker DRX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FNIII14 | [U-13C; U-15N] | 1 mM | |
2 | NaCl | natural abundance | 137 mM | |
3 | KCl | natural abundance | 2.7 mM | |
4 | Na2HPO4 | natural abundance | 10 mM | |
5 | KH2PO4 | natural abundance | 1.4 mM | |
6 | NaN3 | natural abundance | 0.02 % |
Bruker DRX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FNIII14 | [U-13C; U-15N] | 1 mM | |
2 | NaCl | natural abundance | 137 mM | |
3 | KCl | natural abundance | 2.7 mM | |
4 | Na2HPO4 | natural abundance | 10 mM | |
5 | KH2PO4 | natural abundance | 1.4 mM | |
6 | NaN3 | natural abundance | 0.02 % |
Bruker DRX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FNIII14 | [U-13C; U-15N] | 1 mM | |
2 | NaCl | natural abundance | 137 mM | |
3 | KCl | natural abundance | 2.7 mM | |
4 | Na2HPO4 | natural abundance | 10 mM | |
5 | KH2PO4 | natural abundance | 1.4 mM | |
6 | NaN3 | natural abundance | 0.02 % |
Bruker DRX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FNIII14 | [U-13C; U-15N] | 1 mM | |
2 | NaCl | natural abundance | 137 mM | |
3 | KCl | natural abundance | 2.7 mM | |
4 | Na2HPO4 | natural abundance | 10 mM | |
5 | KH2PO4 | natural abundance | 1.4 mM | |
6 | NaN3 | natural abundance | 0.02 % |
Bruker DRX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | FNIII14 | [U-13C; U-15N] | 1 mM | |
2 | NaCl | natural abundance | 137 mM | |
3 | KCl | natural abundance | 2.7 mM | |
4 | Na2HPO4 | natural abundance | 10 mM | |
5 | KH2PO4 | natural abundance | 1.4 mM | |
6 | NaN3 | natural abundance | 0.02 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_27610_6hnf.nef |
Input source #2: Coordindates | 6hnf.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
-------190-------200-------210-------220-------230-------240-------250-------260-------270- GHMDAPSNLRFLATTPNSLLVSWQPPRARITGYIIKYEKPGSPPREVVPRPRPGVTEATITGLEPGTEYTIYVIALKNNQKSEPLIGRKKT ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GHMDAPSNLRFLATTPNSLLVSWQPPRARITGYIIKYEKPGSPPREVVPRPRPGVTEATITGLEPGTEYTIYVIALKNNQKSEPLIGRKKT --------10--------20--------30--------40--------50--------60--------70--------80--------90-
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 91 | 0 | 0 | 100.0 |
Content subtype: combined_27610_6hnf.nef
Assigned chemical shifts
-------190-------200-------210-------220-------230-------240-------250-------260-------270- GHMDAPSNLRFLATTPNSLLVSWQPPRARITGYIIKYEKPGSPPREVVPRPRPGVTEATITGLEPGTEYTIYVIALKNNQKSEPLIGRKKT ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..MDAPSNLRFLATTPNSLLVSWQPPRARITGYIIKYEKPGSPPREVVPRPRPGVTEATITGLEPGTEYTIYVIALKNNQKSEPLIGRKKT
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
188 | ASN | CG | 178.26 |
197 | ASN | CG | 178.077 |
204 | GLN | CD | 180.39 |
258 | ASN | CG | 176.931 |
259 | ASN | CG | 177.824 |
260 | GLN | CD | 180.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 566 | 524 | 92.6 |
13C chemical shifts | 421 | 383 | 91.0 |
15N chemical shifts | 93 | 80 | 86.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 177 | 168 | 94.9 |
13C chemical shifts | 182 | 161 | 88.5 |
15N chemical shifts | 79 | 73 | 92.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 389 | 356 | 91.5 |
13C chemical shifts | 239 | 222 | 92.9 |
15N chemical shifts | 14 | 7 | 50.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 53 | 50 | 94.3 |
13C chemical shifts | 53 | 51 | 96.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 29 | 20 | 69.0 |
13C chemical shifts | 28 | 19 | 67.9 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
-------190-------200-------210-------220-------230-------240-------250-------260-------270- GHMDAPSNLRFLATTPNSLLVSWQPPRARITGYIIKYEKPGSPPREVVPRPRPGVTEATITGLEPGTEYTIYVIALKNNQKSEPLIGRKKT ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..MDAPSNLRFLATTPNSLLVSWQPPRARITGYIIKYEKPGSPPREVVPRPRPGVTEATITGLEPGTEYTIYVIALKNNQKSEPLIGRKKT
Dihedral angle restraints
-------190-------200-------210-------220-------230-------240-------250-------260-------270- GHMDAPSNLRFLATTPNSLLVSWQPPRARITGYIIKYEKPGSPPREVVPRPRPGVTEATITGLEPGTEYTIYVIALKNNQKSEPLIGRKKT |||||||||| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| |||||||||| || ..MDAPSNLRFL.TTPNSLLVSWQPPRARITGYIIKYEKPGSPPREVVPRPRPGVTEATITGLEPGTEYTIYVIALK.NQKSEPLIGR.KT