Segmental isotope labeling of Npl3
MGSSHHHHHH SSGLVPRGSH MHHRQEGELS NTRLFVRPFP LDVQESELNE IFGPFGPMKE VKILNGFAFV EFEEAESAAK AIEEVHGKSF ANQPLEVVYS KLPAKRYR
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 60.0 % (766 of 1276) | 65.6 % (438 of 668) | 50.4 % (252 of 500) | 70.4 % (76 of 108) |
Backbone | 56.9 % (361 of 634) | 65.4 % (142 of 217) | 47.2 % (149 of 316) | 69.3 % (70 of 101) |
Sidechain | 64.2 % (476 of 742) | 65.6 % (296 of 451) | 61.3 % (174 of 284) | 85.7 % (6 of 7) |
Aromatic | 47.1 % (64 of 136) | 61.8 % (42 of 68) | 32.4 % (22 of 68) | |
Methyl | 84.8 % (78 of 92) | 84.8 % (39 of 46) | 84.8 % (39 of 46) |
1. Npl3 RRM1
MGSSHHHHHH SSGLVPRGSH MHHRQEGELS NTRLFVRPFP LDVQESELNE IFGPFGPMKE VKILNGFAFV EFEEAESAAK AIEEVHGKSF ANQPLEVVYS KLPAKRYRSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Npl3 RRM1 | [U-13C; U-15N] | 1 mM | |
2 | H2O | 90 % | ||
3 | D2O | 10 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | Npl3 RRM1 | [U-13C; U-15N] | 1 mM | |
5 | D2O | 100 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | Npl3 RRM1 | [U-15N] | 1 mM | |
7 | H2O | 90 % | ||
8 | D2O | 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 |
Bruker DRX - 500 MHz equipped with cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Npl3 RRM1 | [U-13C; U-15N] | 1 mM | |
2 | H2O | 90 % | ||
3 | D2O | 10 % |
Bruker DRX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Npl3 RRM1 | [U-13C; U-15N] | 1 mM | |
2 | H2O | 90 % | ||
3 | D2O | 10 % |
Bruker DRX - 500 MHz equipped with cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Npl3 RRM1 | [U-13C; U-15N] | 1 mM | |
2 | H2O | 90 % | ||
3 | D2O | 10 % |
Bruker DRX - 500 MHz equipped with cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Npl3 RRM1 | [U-13C; U-15N] | 1 mM | |
2 | H2O | 90 % | ||
3 | D2O | 10 % |
Bruker DRX - 500 MHz equipped with cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Npl3 RRM1 | [U-13C; U-15N] | 1 mM | |
2 | H2O | 90 % | ||
3 | D2O | 10 % |
Bruker DRX - 500 MHz equipped with cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Npl3 RRM1 | [U-13C; U-15N] | 1 mM | |
2 | H2O | 90 % | ||
3 | D2O | 10 % |
Bruker Avance - 900 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Npl3 RRM1 | [U-13C; U-15N] | 1 mM | |
2 | H2O | 90 % | ||
3 | D2O | 10 % |
Bruker DRX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Npl3 RRM1 | [U-13C; U-15N] | 1 mM | |
2 | H2O | 90 % | ||
3 | D2O | 10 % |
Bruker Avance - 900 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | Npl3 RRM1 | [U-13C; U-15N] | 1 mM | |
5 | D2O | 100 % |
Bruker Avance - 900 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | Npl3 RRM1 | [U-13C; U-15N] | 1 mM | |
5 | D2O | 100 % |
Bruker Avance - 900 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Npl3 RRM1 | [U-13C; U-15N] | 1 mM | |
2 | H2O | 90 % | ||
3 | D2O | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_15485_2jvo.nef |
Input source #2: Coordindates | 2jvo.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 MGSSHHHHHHSSGLVPRGSHMHHRQEGELSNTRLFVRPFPLDVQESELNEIFGPFGPMKEVKILNGFAFVEFEEAESAAKAIEEVHGKSFANQPLEVVYS |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MGSSHHHHHHSSGLVPRGSHMHHRQEGELSNTRLFVRPFPLDVQESELNEIFGPFGPMKEVKILNGFAFVEFEEAESAAKAIEEVHGKSFANQPLEVVYS -------- KLPAKRYR |||||||| KLPAKRYR
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 108 | 0 | 0 | 100.0 |
Content subtype: combined_15485_2jvo.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MGSSHHHHHHSSGLVPRGSHMHHRQEGELSNTRLFVRPFPLDVQESELNEIFGPFGPMKEVKILNGFAFVEFEEAESAAKAIEEVHGKSFANQPLEVVYS |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ............................LSNTRLFVRPFPLDVQESELNEIFGPFGPMKEVKILNGFAFVEFEEAESAAKAIEEVHGKSFANQPLEVVYS --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------- KLPAKRYR | | .L.A ----
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 668 | 433 | 64.8 |
13C chemical shifts | 500 | 237 | 47.4 |
15N chemical shifts | 114 | 73 | 64.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 217 | 139 | 64.1 |
13C chemical shifts | 216 | 67 | 31.0 |
15N chemical shifts | 101 | 67 | 66.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 451 | 294 | 65.2 |
13C chemical shifts | 284 | 170 | 59.9 |
15N chemical shifts | 13 | 6 | 46.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 49 | 40 | 81.6 |
13C chemical shifts | 49 | 40 | 81.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 68 | 41 | 60.3 |
13C chemical shifts | 68 | 22 | 32.4 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MGSSHHHHHHSSGLVPRGSHMHHRQEGELSNTRLFVRPFPLDVQESELNEIFGPFGPMKEVKILNGFAFVEFEEAESAAKAIEEVHGKSFANQPLEVVYS |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ............................LSNTRLFVRPFPLDVQESELNEIFGPFGPMKEVKILNGFAFVEFEEAESAAKAIEEVHGKSFANQPLEVVYS --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------- KLPAKRYR
Dihedral angle restraints