Solution structure of the uncharacterized thioredoxin-like protein BVU_1432 from Bacteroides vulgatus
MSLEIPEDKI KEASIIDIQL KDLKGNTRSL TDLKGKVVLI DFTVYNNAMS AAHNLALREL YNKYASQGFE IYQISLDGDE HFWKTSADNL PWVCVRDANG AYSSYISLYN VTNLPSVFLV NRNNELSARG ENIKDLDEAI KKLLEGHHHH HH
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 94.5 % (1691 of 1789) | 94.3 % (872 of 925) | 94.7 % (660 of 697) | 95.2 % (159 of 167) |
Backbone | 94.9 % (860 of 906) | 94.5 % (291 of 308) | 95.3 % (428 of 449) | 94.6 % (141 of 149) |
Sidechain | 94.5 % (971 of 1028) | 94.2 % (581 of 617) | 94.7 % (372 of 393) | 100.0 % (18 of 18) |
Aromatic | 82.9 % (126 of 152) | 82.9 % (63 of 76) | 82.4 % (61 of 74) | 100.0 % (2 of 2) |
Methyl | 98.9 % (178 of 180) | 97.8 % (88 of 90) | 100.0 % (90 of 90) |
1. uncharacterized thioredoxin-like protein
MSLEIPEDKI KEASIIDIQL KDLKGNTRSL TDLKGKVVLI DFTVYNNAMS AAHNLALREL YNKYASQGFE IYQISLDGDE HFWKTSADNL PWVCVRDANG AYSSYISLYN VTNLPSVFLV NRNNELSARG ENIKDLDEAI KKLLEGHHHH HHSolvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.8, Details 20mM Na phosphate buffer, 50mM NaCl, pH 6.8, 1mM DTT
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | uncharacterized thioredoxin-like protein | [U-13C; U-15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | EDTA | natural abundance | 1 mM |
Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 6.8, Details 20mM Na phosphate buffer, 50mM NaCl, pD6.4, 1mM DTT
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | uncharacterized thioredoxin-like protein | [U-13C; U-15N] | 1 mM | |
7 | sodium phosphate | natural abundance | 20 mM | |
8 | sodium chloride | natural abundance | 50 mM | |
9 | DTT | natural abundance | 1 mM | |
10 | EDTA | natural abundance | 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 |
Varian Inova - 600 MHz
State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.8, Details 20mM Na phosphate buffer, 50mM NaCl, pH 6.8, 1mM DTT
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | uncharacterized thioredoxin-like protein | [U-13C; U-15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | EDTA | natural abundance | 1 mM |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.8, Details 20mM Na phosphate buffer, 50mM NaCl, pH 6.8, 1mM DTT
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | uncharacterized thioredoxin-like protein | [U-13C; U-15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | EDTA | natural abundance | 1 mM |
Varian Inova - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 6.8, Details 20mM Na phosphate buffer, 50mM NaCl, pD6.4, 1mM DTT
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | uncharacterized thioredoxin-like protein | [U-13C; U-15N] | 1 mM | |
7 | sodium phosphate | natural abundance | 20 mM | |
8 | sodium chloride | natural abundance | 50 mM | |
9 | DTT | natural abundance | 1 mM | |
10 | EDTA | natural abundance | 1 mM |
Varian Inova - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 6.8, Details 20mM Na phosphate buffer, 50mM NaCl, pD6.4, 1mM DTT
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | uncharacterized thioredoxin-like protein | [U-13C; U-15N] | 1 mM | |
7 | sodium phosphate | natural abundance | 20 mM | |
8 | sodium chloride | natural abundance | 50 mM | |
9 | DTT | natural abundance | 1 mM | |
10 | EDTA | natural abundance | 1 mM |
Bruker Avance - 700 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 6.8, Details 20mM Na phosphate buffer, 50mM NaCl, pD6.4, 1mM DTT
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | uncharacterized thioredoxin-like protein | [U-13C; U-15N] | 1 mM | |
7 | sodium phosphate | natural abundance | 20 mM | |
8 | sodium chloride | natural abundance | 50 mM | |
9 | DTT | natural abundance | 1 mM | |
10 | EDTA | natural abundance | 1 mM |
Varian Inova - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 6.8, Details 20mM Na phosphate buffer, 50mM NaCl, pD6.4, 1mM DTT
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | uncharacterized thioredoxin-like protein | [U-13C; U-15N] | 1 mM | |
7 | sodium phosphate | natural abundance | 20 mM | |
8 | sodium chloride | natural abundance | 50 mM | |
9 | DTT | natural abundance | 1 mM | |
10 | EDTA | natural abundance | 1 mM |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.8, Details 20mM Na phosphate buffer, 50mM NaCl, pH 6.8, 1mM DTT
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | uncharacterized thioredoxin-like protein | [U-13C; U-15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | EDTA | natural abundance | 1 mM |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.8, Details 20mM Na phosphate buffer, 50mM NaCl, pH 6.8, 1mM DTT
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | uncharacterized thioredoxin-like protein | [U-13C; U-15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | EDTA | natural abundance | 1 mM |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.8, Details 20mM Na phosphate buffer, 50mM NaCl, pH 6.8, 1mM DTT
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | uncharacterized thioredoxin-like protein | [U-13C; U-15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | EDTA | natural abundance | 1 mM |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.8, Details 20mM Na phosphate buffer, 50mM NaCl, pH 6.8, 1mM DTT
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | uncharacterized thioredoxin-like protein | [U-13C; U-15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | EDTA | natural abundance | 1 mM |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.8, Details 20mM Na phosphate buffer, 50mM NaCl, pH 6.8, 1mM DTT
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | uncharacterized thioredoxin-like protein | [U-13C; U-15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | EDTA | natural abundance | 1 mM |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.8, Details 20mM Na phosphate buffer, 50mM NaCl, pH 6.8, 1mM DTT
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | uncharacterized thioredoxin-like protein | [U-13C; U-15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | DTT | natural abundance | 1 mM | |
5 | EDTA | natural abundance | 1 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_18394_2lrt.nef |
Input source #2: Coordindates | 2lrt.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 MSLEIPEDKIKEASIIDIQLKDLKGNTRSLTDLKGKVVLIDFTVYNNAMSAAHNLALRELYNKYASQGFEIYQISLDGDEHFWKTSADNLPWVCVRDANG |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MSLEIPEDKIKEASIIDIQLKDLKGNTRSLTDLKGKVVLIDFTVYNNAMSAAHNLALRELYNKYASQGFEIYQISLDGDEHFWKTSADNLPWVCVRDANG -------110-------120-------130-------140-------150-- AYSSYISLYNVTNLPSVFLVNRNNELSARGENIKDLDEAIKKLLEGHHHHHH |||||||||||||||||||||||||||||||||||||||||||||||||||| AYSSYISLYNVTNLPSVFLVNRNNELSARGENIKDLDEAIKKLLEGHHHHHH
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 152 | 0 | 0 | 100.0 |
Content subtype: combined_18394_2lrt.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MSLEIPEDKIKEASIIDIQLKDLKGNTRSLTDLKGKVVLIDFTVYNNAMSAAHNLALRELYNKYASQGFEIYQISLDGDEHFWKTSADNLPWVCVRDANG | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| M.LEIPEDKIKEASIIDIQLKDLKGNTRSLTDLKGKVVLIDFTVYNNAMSAAHNLALRELYNKYASQGFEIYQISLDGDEHFWKTSADNLPWVCVRDANG -------110-------120-------130-------140-------150-- AYSSYISLYNVTNLPSVFLVNRNNELSARGENIKDLDEAIKKLLEGHHHHHH |||||||||||||||||||||||||||||||||||||||||||||| || AYSSYISLYNVTNLPSVFLVNRNNELSARGENIKDLDEAIKKLLEG....HH
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 925 | 875 | 94.6 |
13C chemical shifts | 697 | 662 | 95.0 |
15N chemical shifts | 172 | 157 | 91.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 308 | 290 | 94.2 |
13C chemical shifts | 304 | 291 | 95.7 |
15N chemical shifts | 149 | 137 | 91.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 617 | 585 | 94.8 |
13C chemical shifts | 393 | 371 | 94.4 |
15N chemical shifts | 23 | 20 | 87.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 92 | 92 | 100.0 |
13C chemical shifts | 92 | 92 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 76 | 63 | 82.9 |
13C chemical shifts | 74 | 61 | 82.4 |
15N chemical shifts | 2 | 2 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MSLEIPEDKIKEASIIDIQLKDLKGNTRSLTDLKGKVVLIDFTVYNNAMSAAHNLALRELYNKYASQGFEIYQISLDGDEHFWKTSADNLPWVCVRDANG ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| |||||||||||||||||||||| ..LEIPEDKIKEASIIDIQLKDLKGNTRSLTDLKGKVVLIDFTVYNNAMSAAHNLALRELYNKYASQGFEIYQISLD.DEHFWKTSADNLPWVCVRDANG -------110-------120-------130-------140-------150-- AYSSYISLYNVTNLPSVFLVNRNNELSARGENIKDLDEAIKKLLEGHHHHHH |||||||||||||||||||||||||||||||||||||||||||||| | AYSSYISLYNVTNLPSVFLVNRNNELSARGENIKDLDEAIKKLLEG.....H
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MSLEIPEDKIKEASIIDIQLKDLKGNTRSLTDLKGKVVLIDFTVYNNAMSAAHNLALRELYNKYASQGFEIYQISLDGDEHFWKTSADNLPWVCVRDANG || || ||||||| ||||| |||| |||||| ||| ||| | | ||| | | ||||||| ||| || | |||| ..LE....KI...SIIDIQL......TRSLT.LKGK.VLIDFT...NAM.AAH..A.R.LYN.Y..Q.FEIYQIS.....HFW..SA....W.CVRD... --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130-------140-------150-- AYSSYISLYNVTNLPSVFLVNRNNELSARGENIKDLDEAIKKLLEGHHHHHH ||||||| | ||| ||| ||||||||| .............LPSVFLV.R.NEL.ARG.....LDEAIKKLL -------110-------120-------130-------140----
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MSLEIPEDKIKEASIIDIQLKDLKGNTRSLTDLKGKVVLIDFTVYNNAMSAAHNLALRELYNKYASQGFEIYQISLDGDEHFWKTSADNLPWVCVRDANG |||||||| ||||||| ||||||||||||||||||||||||||||| ||||||||| |||||||||||| ||||||| ..............IIDIQLKD..GNTRSLT....KVVLIDFTVYNNAMSAAHNLALRELYNKY...GFEIYQISL..DEHFWKTSADNL...CVRDANG --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130-------140-------150-- AYSSYISLYNVTNLPSVFLVNRNNELSARGENIKDLDEAIKKLLEGHHHHHH ||||||||| |||||||| ||||||| ||||||||||| .YSSYISLYN...LPSVFLVN..NELSARG....DLDEAIKKLLE -------110-------120-------130-------140-----