1H, 13C, 15N chemical shift assignments of initiation factor 1 from Pseudomonas aeruginosa
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 77.2 % (729 of 944) | 77.6 % (381 of 491) | 74.5 % (277 of 372) | 87.7 % (71 of 81) |
Backbone | 88.2 % (420 of 476) | 89.0 % (145 of 163) | 87.7 % (206 of 235) | 88.5 % (69 of 78) |
Sidechain | 69.1 % (375 of 543) | 72.0 % (236 of 328) | 64.6 % (137 of 212) | 66.7 % (2 of 3) |
Aromatic | 21.1 % (16 of 76) | 31.6 % (12 of 38) | 10.5 % (4 of 38) | |
Methyl | 94.2 % (81 of 86) | 95.3 % (41 of 43) | 93.0 % (40 of 43) |
1. Initiation Factor IF-1
MSKEDSFEME GTVVDTLPNT MFRVELENGH VVTAHISGKM RKNYIRILTG DKVRVELTPY DLSKGRITYR ARLEHHHHHHSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.1
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Initiation Factor IF-1 | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | KPO4 | natural abundance | 25 mM | |
3 | KCl | natural abundance | 100 mM |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.1
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Initiation Factor IF-1 | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | KPO4 | natural abundance | 25 mM | |
3 | KCl | natural abundance | 100 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.1
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Initiation Factor IF-1 | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | KPO4 | natural abundance | 25 mM | |
3 | KCl | natural abundance | 100 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.1
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Initiation Factor IF-1 | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | KPO4 | natural abundance | 25 mM | |
3 | KCl | natural abundance | 100 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.1
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Initiation Factor IF-1 | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | KPO4 | natural abundance | 25 mM | |
3 | KCl | natural abundance | 100 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.1
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Initiation Factor IF-1 | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | KPO4 | natural abundance | 25 mM | |
3 | KCl | natural abundance | 100 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_26649_2n78.nef |
Input source #2: Coordindates | 2n78.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-- MSKEDSFEMEGTVVDTLPNTMFRVELENGHVVTAHISGKMRKNYIRILTGDKVRVELTPYDLSKGRITYRAR |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MSKEDSFEMEGTVVDTLPNTMFRVELENGHVVTAHISGKMRKNYIRILTGDKVRVELTPYDLSKGRITYRAR
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 72 | 0 | 0 | 100.0 |
Content subtype: combined_26649_2n78.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70-- MSKEDSFEMEGTVVDTLPNTMFRVELENGHVVTAHISGKMRKNYIRILTGDKVRVELTPYDLSKGRITYRAR ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .SKEDSFEMEGTVVDTLPNTMFRVELENGHVVTAHISGKMRKNYIRILTGDKVRVELTPYDLSKGRITYRAR
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 442 | 372 | 84.2 |
13C chemical shifts | 332 | 269 | 81.0 |
15N chemical shifts | 80 | 70 | 87.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 147 | 145 | 98.6 |
13C chemical shifts | 144 | 140 | 97.2 |
15N chemical shifts | 70 | 69 | 98.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 295 | 227 | 76.9 |
13C chemical shifts | 188 | 129 | 68.6 |
15N chemical shifts | 10 | 1 | 10.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 45 | 44 | 97.8 |
13C chemical shifts | 45 | 43 | 95.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 26 | 10 | 38.5 |
13C chemical shifts | 26 | 0 | 0.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70-- MSKEDSFEMEGTVVDTLPNTMFRVELENGHVVTAHISGKMRKNYIRILTGDKVRVELTPYDLSKGRITYRAR ||||||||||||||||||||||||||||||||||||||||||||||||||||||| ||||||||||||| ...EDSFEMEGTVVDTLPNTMFRVELENGHVVTAHISGKMRKNYIRILTGDKVRVELT.YDLSKGRITYRAR
--------10--------20--------30--------40--------50--------60--------70-- MSKEDSFEMEGTVVDTLPNTMFRVELENGHVVTAHISGKMRKNYIRILTGDKVRVELTPYDLSKGRITYRAR | | ||||| | |||||| | |||| || || ||||||||| |||||| | ......F.M.GTVVD.L...MFRVEL...H.VTAH..GK..KN......GDKVRVELT.....KGRITY.A --------10--------20--------30--------40--------50--------60--------70-
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70-- MSKEDSFEMEGTVVDTLPNTMFRVELENGHVVTAHISGKMRKNYIRILTGDKVRVELTPYDLSKGRITYRAR |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ....DSFEMEGTVVDTLPNTMFRVELENGHVVTAHISGKMRKNYIRILTGDKVRVELTPYDLSKGRITYRAR