1H, 15N and 13C backbone and side-chain assignments of a family 32 carbohydrate-binding module (CBM32) from the Clostridium perfringens NagH
MGSSHHHHHH SSGLVPRGSH MASDPNRIIA TYISNRQDAP TGNPDNIFDN NASTELVYKN PNRIDVGTYV GVKYSNPITL NNVEFLMGAN SNPNDTMQKA KIQYTVDGRE WIDLEEGVEY TMPGAIKVEN LDLKVRGVRL IATEARENTW LGVRDINVNK KEDS
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 86.3 % (1606 of 1862) | 85.7 % (830 of 968) | 85.9 % (614 of 715) | 90.5 % (162 of 179) |
Backbone | 88.9 % (861 of 968) | 89.2 % (296 of 332) | 88.5 % (425 of 480) | 89.7 % (140 of 156) |
Sidechain | 84.3 % (882 of 1046) | 84.0 % (534 of 636) | 84.2 % (326 of 387) | 95.7 % (22 of 23) |
Aromatic | 43.3 % (52 of 120) | 43.3 % (26 of 60) | 41.4 % (24 of 58) | 100.0 % (2 of 2) |
Methyl | 97.6 % (166 of 170) | 97.6 % (83 of 85) | 97.6 % (83 of 85) |
1. GH84A CBM32-1
MGSSHHHHHH SSGLVPRGSH MASDPNRIIA TYISNRQDAP TGNPDNIFDN NASTELVYKN PNRIDVGTYV GVKYSNPITL NNVEFLMGAN SNPNDTMQKA KIQYTVDGRE WIDLEEGVEY TMPGAIKVEN LDLKVRGVRL IATEARENTW LGVRDINVNK KEDSSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | GH84A_CBM32-1 | [U-100% 13C; U-100% 15N] | 0.8 mM | |
2 | H20 | natural abundance | 90 % | |
3 | D20 | natural abundance | 10 % | |
4 | TRIS | natural abundance | 25 mM | |
5 | sodium chloride | natural abundance | 50 mM |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | external | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | external | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | external | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | external | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | external | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | external | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | external | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | external | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | external | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | external | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | external | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | external | indirect | 0.1013291 |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | GH84A_CBM32-1 | [U-100% 13C; U-100% 15N] | 0.8 mM | |
2 | H20 | natural abundance | 90 % | |
3 | D20 | natural abundance | 10 % | |
4 | TRIS | natural abundance | 25 mM | |
5 | sodium chloride | natural abundance | 50 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | GH84A_CBM32-1 | [U-100% 13C; U-100% 15N] | 0.8 mM | |
2 | H20 | natural abundance | 90 % | |
3 | D20 | natural abundance | 10 % | |
4 | TRIS | natural abundance | 25 mM | |
5 | sodium chloride | natural abundance | 50 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | GH84A_CBM32-1 | [U-100% 13C; U-100% 15N] | 0.8 mM | |
2 | H20 | natural abundance | 90 % | |
3 | D20 | natural abundance | 10 % | |
4 | TRIS | natural abundance | 25 mM | |
5 | sodium chloride | natural abundance | 50 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | GH84A_CBM32-1 | [U-100% 13C; U-100% 15N] | 0.8 mM | |
2 | H20 | natural abundance | 90 % | |
3 | D20 | natural abundance | 10 % | |
4 | TRIS | natural abundance | 25 mM | |
5 | sodium chloride | natural abundance | 50 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | GH84A_CBM32-1 | [U-100% 13C; U-100% 15N] | 0.8 mM | |
2 | H20 | natural abundance | 90 % | |
3 | D20 | natural abundance | 10 % | |
4 | TRIS | natural abundance | 25 mM | |
5 | sodium chloride | natural abundance | 50 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | GH84A_CBM32-1 | [U-100% 13C; U-100% 15N] | 0.8 mM | |
2 | H20 | natural abundance | 90 % | |
3 | D20 | natural abundance | 10 % | |
4 | TRIS | natural abundance | 25 mM | |
5 | sodium chloride | natural abundance | 50 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | GH84A_CBM32-1 | [U-100% 13C; U-100% 15N] | 0.8 mM | |
2 | H20 | natural abundance | 90 % | |
3 | D20 | natural abundance | 10 % | |
4 | TRIS | natural abundance | 25 mM | |
5 | sodium chloride | natural abundance | 50 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | GH84A_CBM32-1 | [U-100% 13C; U-100% 15N] | 0.8 mM | |
2 | H20 | natural abundance | 90 % | |
3 | D20 | natural abundance | 10 % | |
4 | TRIS | natural abundance | 25 mM | |
5 | sodium chloride | natural abundance | 50 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | GH84A_CBM32-1 | [U-100% 13C; U-100% 15N] | 0.8 mM | |
2 | H20 | natural abundance | 90 % | |
3 | D20 | natural abundance | 10 % | |
4 | TRIS | natural abundance | 25 mM | |
5 | sodium chloride | natural abundance | 50 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | GH84A_CBM32-1 | [U-100% 13C; U-100% 15N] | 0.8 mM | |
2 | H20 | natural abundance | 90 % | |
3 | D20 | natural abundance | 10 % | |
4 | TRIS | natural abundance | 25 mM | |
5 | sodium chloride | natural abundance | 50 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | GH84A_CBM32-1 | [U-100% 13C; U-100% 15N] | 0.8 mM | |
2 | H20 | natural abundance | 90 % | |
3 | D20 | natural abundance | 10 % | |
4 | TRIS | natural abundance | 25 mM | |
5 | sodium chloride | natural abundance | 50 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | GH84A_CBM32-1 | [U-100% 13C; U-100% 15N] | 0.8 mM | |
2 | H20 | natural abundance | 90 % | |
3 | D20 | natural abundance | 10 % | |
4 | TRIS | natural abundance | 25 mM | |
5 | sodium chloride | natural abundance | 50 mM |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.9
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | GH84A_CBM32-1 | [U-100% 13C; U-100% 15N] | 0.8 mM | |
2 | H20 | natural abundance | 90 % | |
3 | D20 | natural abundance | 10 % | |
4 | TRIS | natural abundance | 25 mM | |
5 | sodium chloride | natural abundance | 50 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_17694_2ls6.nef |
Input source #2: Coordindates | 2ls6.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 MGSSHHHHHHSSGLVPRGSHMASDPNRIIATYISNRQDAPTGNPDNIFDNNASTELVYKNPNRIDVGTYVGVKYSNPITLNNVEFLMGANSNPNDTMQKA |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MGSSHHHHHHSSGLVPRGSHMASDPNRIIATYISNRQDAPTGNPDNIFDNNASTELVYKNPNRIDVGTYVGVKYSNPITLNNVEFLMGANSNPNDTMQKA -------110-------120-------130-------140-------150-------160---- KIQYTVDGREWIDLEEGVEYTMPGAIKVENLDLKVRGVRLIATEARENTWLGVRDINVNKKEDS |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| KIQYTVDGREWIDLEEGVEYTMPGAIKVENLDLKVRGVRLIATEARENTWLGVRDINVNKKEDS
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 164 | 0 | 0 | 100.0 |
Content subtype: combined_17694_2ls6.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MGSSHHHHHHSSGLVPRGSHMASDPNRIIATYISNRQDAPTGNPDNIFDNNASTELVYKNPNRIDVGTYVGVKYSNPITLNNVEFLMGANSNPNDTMQKA ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .....................ASDPNRIIATYISNRQDAPTGNPDNIFDNNASTELVYKNPNRIDVGTYVGVKYSNPITLNNVEFLMGANSNPNDTMQKA -------110-------120-------130-------140-------150-------160---- KIQYTVDGREWIDLEEGVEYTMPGAIKVENLDLKVRGVRLIATEARENTWLGVRDINVNKKEDS |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| KIQYTVDGREWIDLEEGVEYTMPGAIKVENLDLKVRGVRLIATEARENTWLGVRDINVNKKEDS
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 968 | 812 | 83.9 |
13C chemical shifts | 715 | 597 | 83.5 |
15N chemical shifts | 188 | 158 | 84.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 332 | 288 | 86.7 |
13C chemical shifts | 328 | 277 | 84.5 |
15N chemical shifts | 156 | 136 | 87.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 636 | 524 | 82.4 |
13C chemical shifts | 387 | 320 | 82.7 |
15N chemical shifts | 32 | 22 | 68.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 90 | 84 | 93.3 |
13C chemical shifts | 90 | 84 | 93.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 60 | 26 | 43.3 |
13C chemical shifts | 58 | 24 | 41.4 |
15N chemical shifts | 2 | 2 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MGSSHHHHHHSSGLVPRGSHMASDPNRIIATYISNRQDAPTGNPDNIFDNNASTELVYKNPNRIDVGTYVGVKYSNPITLNNVEFLMGANSNPNDTMQKA |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ....................MASDPNRIIATYISNRQDAPTGNPDNIFDNNASTELVYKNPNRIDVGTYVGVKYSNPITLNNVEFLMGANSNPNDTMQKA -------110-------120-------130-------140-------150-------160---- KIQYTVDGREWIDLEEGVEYTMPGAIKVENLDLKVRGVRLIATEARENTWLGVRDINVNKKEDS |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| KIQYTVDGREWIDLEEGVEYTMPGAIKVENLDLKVRGVRLIATEARENTWLGVRDINVNKKEDS
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MGSSHHHHHHSSGLVPRGSHMASDPNRIIATYISNRQDAPTGNPDNIFDNNASTELVYKNPNRIDVGTYVGVKYSNPITLNNVEFLMGANSNPNDTMQKA |||||||| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ...........................IIATYISN..DAPTGNPDNIFDNNASTELVYKNPNRIDVGTYVGVKYSNPITLNNVEFLMGANSNPNDTMQKA --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130-------140-------150-------160---- KIQYTVDGREWIDLEEGVEYTMPGAIKVENLDLKVRGVRLIATEARENTWLGVRDINVNKKEDS |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| KIQYTVDGREWIDLEEGVEYTMPGAIKVENLDLKVRGVRLIATEARENTWLGVRDINVNK -------110-------120-------130-------140-------150-------160