Solution NMR Structure of Cgi121 from Methanococcus jannaschii. Northeast Structural Genomics Consortium Target MJ0187
GAMDPMIIRG IRGARINNEI FNLGLKFQIL NADVVATKKH VLHAINQAKT KKPIAKSFWM EILVRASGQR QIHEAIKIIG AKDGNVCLIC EDEETFRKIY ELIGGEIDDS VLEINEDKER LIREIFKIRG FGNVVERVLE KIALIELKKE
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 96.9 % (1766 of 1823) | 96.1 % (920 of 957) | 97.9 % (690 of 705) | 96.9 % (156 of 161) |
Backbone | 98.8 % (885 of 896) | 98.1 % (303 of 309) | 99.8 % (438 of 439) | 97.3 % (144 of 148) |
Sidechain | 95.5 % (1018 of 1066) | 95.1 % (616 of 648) | 96.3 % (390 of 405) | 92.3 % (12 of 13) |
Aromatic | 84.8 % (78 of 92) | 84.8 % (39 of 46) | 84.4 % (38 of 45) | 100.0 % (1 of 1) |
Methyl | 99.0 % (202 of 204) | 98.0 % (100 of 102) | 100.0 % (102 of 102) |
1. Cgi121
GAMDPMIIRG IRGARINNEI FNLGLKFQIL NADVVATKKH VLHAINQAKT KKPIAKSFWM EILVRASGQR QIHEAIKIIG AKDGNVCLIC EDEETFRKIY ELIGGEIDDS VLEINEDKER LIREIFKIRG FGNVVERVLE KIALIELKKESolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1 mM |
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 Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1 mM |
Bruker Avance - 600 MHz
State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.3
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints | combined_15981_2k8y.nef |
Input source #2: Coordindates | 2k8y.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 GAMDPMIIRGIRGARINNEIFNLGLKFQILNADVVATKKHVLHAINQAKTKKPIAKSFWMEILVRASGQRQIHEAIKIIGAKDGNVCLICEDEETFRKIY |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GAMDPMIIRGIRGARINNEIFNLGLKFQILNADVVATKKHVLHAINQAKTKKPIAKSFWMEILVRASGQRQIHEAIKIIGAKDGNVCLICEDEETFRKIY -------110-------120-------130-------140-------150 ELIGGEIDDSVLEINEDKERLIREIFKIRGFGNVVERVLEKIALIELKKE |||||||||||||||||||||||||||||||||||||||||||||||||| ELIGGEIDDSVLEINEDKERLIREIFKIRGFGNVVERVLEKIALIELKKE
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 150 | 0 | 0 | 100.0 |
Content subtype: combined_15981_2k8y.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GAMDPMIIRGIRGARINNEIFNLGLKFQILNADVVATKKHVLHAINQAKTKKPIAKSFWMEILVRASGQRQIHEAIKIIGAKDGNVCLICEDEETFRKIY ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .AMDPMIIRGIRGARINNEIFNLGLKFQILNADVVATKKHVLHAINQAKTKKPIAKSFWMEILVRASGQRQIHEAIKIIGAKDGNVCLICEDEETFRKIY -------110-------120-------130-------140-------150 ELIGGEIDDSVLEINEDKERLIREIFKIRGFGNVVERVLEKIALIELKKE |||||||||||||||||||||||||||||||||||||||||||||||||| ELIGGEIDDSVLEINEDKERLIREIFKIRGFGNVVERVLEKIALIELKKE
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
17 | ASN | CG | 176.411 |
18 | ASN | CG | 176.0 |
22 | ASN | CG | 177.009 |
27 | PHE | CG | 138.363 |
28 | GLN | CD | 180.168 |
31 | ASN | CG | 176.1 |
46 | ASN | CG | 176.0 |
47 | GLN | CD | 179.207 |
58 | PHE | CG | 137.288 |
85 | ASN | CG | 175.544 |
96 | PHE | CG | 138.672 |
100 | TYR | HH | 9.782 |
115 | ASN | CG | 176.109 |
126 | PHE | CG | 139.708 |
131 | PHE | CG | 138.158 |
133 | ASN | CG | 177.298 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 957 | 913 | 95.4 |
13C chemical shifts | 705 | 685 | 97.2 |
15N chemical shifts | 171 | 154 | 90.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 309 | 302 | 97.7 |
13C chemical shifts | 300 | 298 | 99.3 |
15N chemical shifts | 148 | 143 | 96.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 648 | 611 | 94.3 |
13C chemical shifts | 405 | 387 | 95.6 |
15N chemical shifts | 23 | 11 | 47.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 105 | 101 | 96.2 |
13C chemical shifts | 105 | 101 | 96.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 46 | 39 | 84.8 |
13C chemical shifts | 45 | 38 | 84.4 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GAMDPMIIRGIRGARINNEIFNLGLKFQILNADVVATKKHVLHAINQAKTKKPIAKSFWMEILVRASGQRQIHEAIKIIGAKDGNVCLICEDEETFRKIY ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .AMDPMIIRGIRGARINNEIFNLGLKFQILNADVVATKKHVLHAINQAKTKKPIAKSFWMEILVRASGQRQIHEAIKIIGAKDGNVCLICEDEETFRKIY -------110-------120-------130-------140-------150 ELIGGEIDDSVLEINEDKERLIREIFKIRGFGNVVERVLEKIALIELKKE |||||||||||||||||||||||||||||||||||||||||||||||||| ELIGGEIDDSVLEINEDKERLIREIFKIRGFGNVVERVLEKIALIELKKE
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GAMDPMIIRGIRGARINNEIFNLGLKFQILNADVVATKKHVLHAINQAKTKKPIAKSFWMEILVRASGQRQIHEAIKIIGAKDGNVCLICEDEETFRKIY |||||||||||||||||||| ||||||||| ||||||||||||||||| ||||||||||| |||||||||| ||||||||||| |||||||| .....MIIRGIRGARINNEIFNLGL.FQILNADVV.TKKHVLHAINQAKTKKP....FWMEILVRASG.RQIHEAIKII.AKDGNVCLICE.EETFRKIY --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130-------140-------150 ELIGGEIDDSVLEINEDKERLIREIFKIRGFGNVVERVLEKIALIELKKE ||||||||||||||||||||||||||| ||||||||||||||| ELIGGEIDDSVLEINEDKERLIREIFK....GNVVERVLEKIALIE -------110-------120-------130-------140------
RDC restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GAMDPMIIRGIRGARINNEIFNLGLKFQILNADVVATKKHVLHAINQAKTKKPIAKSFWMEILVRASGQRQIHEAIKIIGAKDGNVCLICEDEETFRKIY || ||||| | ||||| || |||||| || ||||||||||| ||| || ||||| |||||||||||||||||||||||||||||||||||| ..MD..IIRGI.G...NNEIF.LG.KFQILN.DV...KKHVLHAINQA.TKK.IA...WMEIL.RASGQRQIHEAIKIIGAKDGNVCLICEDEETFRKIY -------110-------120-------130-------140-------150 ELIGGEIDDSVLEINEDKERLIREIFKIRGFGNVVERVLEKIALIELKKE |||| ||| ||| | ||||||||||||||| |||| ||||||| | |||| ELIG.EID.SVL.I.EDKERLIREIFKIRG.GNVV.RVLEKIA.I.LKKE