Solution structure of the LEDGF/p75 IBD - JPO2 (aa 1-32) complex
SNAASWETSM DSRLQRIHAE IKNSLKIDNL DVNRCIEALD ELASLQVTMQ QAQKHTEMIT TLKKIRRFKV SQVIMEKSTM LYNKFKNMFL VGEGDSVITQ VLNKMELATR YQIPKEVADI FNAPSDDEEF VGFRDD
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 96.5 % (1569 of 1626) | 97.6 % (830 of 850) | 94.7 % (592 of 625) | 97.4 % (147 of 151) |
Backbone | 97.9 % (795 of 812) | 98.2 % (268 of 273) | 97.8 % (396 of 405) | 97.8 % (131 of 134) |
Sidechain | 95.7 % (906 of 947) | 97.4 % (562 of 577) | 92.9 % (328 of 353) | 94.1 % (16 of 17) |
Aromatic | 81.3 % (78 of 96) | 100.0 % (48 of 48) | 61.7 % (29 of 47) | 100.0 % (1 of 1) |
Methyl | 98.1 % (151 of 154) | 100.0 % (77 of 77) | 96.1 % (74 of 77) |
1. entity 1
SNAASWETSM DSRLQRIHAE IKNSLKIDNL DVNRCIEALD ELASLQVTMQ QAQKHTEMIT TLKKIRRFKV SQVIMEKSTM LYNKFKNMFL VGEGDSVITQ VLNKMELATR YQIPKEVADI FNAPSDDEEF VGFRDDSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.5 mM [U-13C; U-15N] LEDGF/p75 IBD-JPO2 M1, 50 mM TRIS, 150 mM sodium chloride, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | LEDGF/p75 IBD-JPO2 M1 | [U-13C; U-15N] | 0.5 mM | |
2 | TRIS | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 150 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 AvanceIII - 850 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.5 mM [U-13C; U-15N] LEDGF/p75 IBD-JPO2 M1, 50 mM TRIS, 150 mM sodium chloride, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | LEDGF/p75 IBD-JPO2 M1 | [U-13C; U-15N] | 0.5 mM | |
2 | TRIS | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 150 mM |
Bruker AvanceIII - 850 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.5 mM [U-13C; U-15N] LEDGF/p75 IBD-JPO2 M1, 50 mM TRIS, 150 mM sodium chloride, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | LEDGF/p75 IBD-JPO2 M1 | [U-13C; U-15N] | 0.5 mM | |
2 | TRIS | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 150 mM |
Bruker AvanceIII - 850 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.5 mM [U-13C; U-15N] LEDGF/p75 IBD-JPO2 M1, 50 mM TRIS, 150 mM sodium chloride, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | LEDGF/p75 IBD-JPO2 M1 | [U-13C; U-15N] | 0.5 mM | |
2 | TRIS | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 150 mM |
Bruker AvanceIII - 850 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.5 mM [U-13C; U-15N] LEDGF/p75 IBD-JPO2 M1, 50 mM TRIS, 150 mM sodium chloride, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | LEDGF/p75 IBD-JPO2 M1 | [U-13C; U-15N] | 0.5 mM | |
2 | TRIS | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 150 mM |
Bruker AvanceIII - 850 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.5 mM [U-13C; U-15N] LEDGF/p75 IBD-JPO2 M1, 50 mM TRIS, 150 mM sodium chloride, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | LEDGF/p75 IBD-JPO2 M1 | [U-13C; U-15N] | 0.5 mM | |
2 | TRIS | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 150 mM |
Bruker AvanceIII - 850 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.5 mM [U-13C; U-15N] LEDGF/p75 IBD-JPO2 M1, 50 mM TRIS, 150 mM sodium chloride, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | LEDGF/p75 IBD-JPO2 M1 | [U-13C; U-15N] | 0.5 mM | |
2 | TRIS | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 150 mM |
Bruker AvanceIII - 850 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.5 mM [U-13C; U-15N] LEDGF/p75 IBD-JPO2 M1, 50 mM TRIS, 150 mM sodium chloride, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | LEDGF/p75 IBD-JPO2 M1 | [U-13C; U-15N] | 0.5 mM | |
2 | TRIS | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 150 mM |
Bruker AvanceIII - 850 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.5 mM [U-13C; U-15N] LEDGF/p75 IBD-JPO2 M1, 50 mM TRIS, 150 mM sodium chloride, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | LEDGF/p75 IBD-JPO2 M1 | [U-13C; U-15N] | 0.5 mM | |
2 | TRIS | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 150 mM |
Bruker AvanceIII - 850 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.5 mM [U-13C; U-15N] LEDGF/p75 IBD-JPO2 M1, 50 mM TRIS, 150 mM sodium chloride, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | LEDGF/p75 IBD-JPO2 M1 | [U-13C; U-15N] | 0.5 mM | |
2 | TRIS | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 150 mM |
Bruker AvanceIII - 850 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.5 mM [U-13C; U-15N] LEDGF/p75 IBD-JPO2 M1, 50 mM TRIS, 150 mM sodium chloride, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | LEDGF/p75 IBD-JPO2 M1 | [U-13C; U-15N] | 0.5 mM | |
2 | TRIS | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 150 mM |
Bruker AvanceIII - 850 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.5 mM [U-13C; U-15N] LEDGF/p75 IBD-JPO2 M1, 50 mM TRIS, 150 mM sodium chloride, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | LEDGF/p75 IBD-JPO2 M1 | [U-13C; U-15N] | 0.5 mM | |
2 | TRIS | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 150 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_34179_6emo.nef |
Input source #2: Coordindates | 6emo.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 | Error |
Disulfide bonds
NoneOther bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
NoneNon-standard residues
Chain_ID | Seq_ID | Comp_ID | Chem_comp_name | Experimental evidences |
---|---|---|---|---|
A | 447 | . | Not matched with CCD | None |
A | 450 | . | Not matched with CCD | None |
A | 443 | . | Not matched with CCD | None |
A | 446 | . | Not matched with CCD | None |
A | 449 | . | Not matched with CCD | None |
A | 445 | . | Not matched with CCD | None |
A | 448 | . | Not matched with CCD | None |
A | 444 | . | Not matched with CCD | None |
Sequence alignments
--------- ........S | -.-.-.-.-N-A-W-TSMDSRLQRIHAEIKNSLKIDNLDVNRCIEALDELASLQVTMQQAQKHTEMITTLKKIRRFKVSQVIMEKSTMLYNKFKNMFLVG - - - - - - - ---------10--------20--------30--------40--------50--------60--------70--------80---- EGDSVITQVLNKMELATRYQIPKEVADIFNAPSDDEEFVGFRDD ----90-------100-------110-------120-------1
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 136 | 8 | 0 | 100.0 |
Content subtype: combined_34179_6emo.nef
Assigned chemical shifts
Distance restraints
Dihedral angle restraints