Solution NMR structure of BCoR in complex with AF9 (BCoR-AF9)
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 64.4 % (788 of 1223) | 63.9 % (404 of 632) | 64.7 % (311 of 481) | 66.4 % (73 of 110) |
Backbone | 66.1 % (410 of 620) | 65.7 % (138 of 210) | 66.2 % (204 of 308) | 66.7 % (68 of 102) |
Sidechain | 63.3 % (445 of 703) | 63.0 % (266 of 422) | 63.7 % (174 of 273) | 62.5 % (5 of 8) |
Aromatic | 53.7 % (44 of 82) | 53.7 % (22 of 41) | 53.7 % (22 of 41) | |
Methyl | 71.9 % (92 of 128) | 71.9 % (46 of 64) | 71.9 % (46 of 64) |
1. AF9
MDKAYLDELV ELHRRLMTLR ERHILQQIVN LIEETGHFHI TNTTFDFDLC SLDKTTVRKL QSYLETSGTS2. BCoR
GTTNSSSNHL EDPHYSELTN LKVCIELTGL HPKKSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | AF9 | [U-100% 13C; U-100% 15N] | 750 uM | |
2 | BCoR | [U-100% 13C; U-100% 15N] | 750 uM | |
3 | Bis-Tris | natural abundance | 9.3 mM | |
4 | MES | natural abundance | 15.8 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | D2O | [U-2H] | 5 % | |
7 | H2O | natural abundance | 95 % | |
8 | NaCl | natural abundance | 100 mM |
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 49.5 % (1211 of 2446) | 48.1 % (608 of 1264) | 50.6 % (487 of 962) | 52.7 % (116 of 220) |
Backbone | 52.9 % (656 of 1240) | 51.9 % (218 of 420) | 53.2 % (328 of 616) | 53.9 % (110 of 204) |
Sidechain | 47.2 % (664 of 1406) | 46.2 % (390 of 844) | 49.1 % (268 of 546) | 37.5 % (6 of 16) |
Aromatic | 31.1 % (51 of 164) | 29.3 % (24 of 82) | 32.9 % (27 of 82) | |
Methyl | 53.1 % (136 of 256) | 52.3 % (67 of 128) | 53.9 % (69 of 128) |
1. AF9
MDKAYLDELV ELHRRLMTLR ERHILQQIVN LIEETGHFHI TNTTFDFDLC SLDKTTVRKL QSYLETSGTS2. BCoR
GTTNSSSNHL EDPHYSELTN LKVCIELTGL HPKKSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | AF9 | [U-100% 13C; U-100% 15N] | 750 uM | |
2 | BCoR | [U-100% 13C; U-100% 15N] | 750 uM | |
3 | Bis-Tris | natural abundance | 9.3 mM | |
4 | MES | natural abundance | 15.8 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | D2O | [U-2H] | 5 % | |
7 | H2O | natural abundance | 95 % | |
8 | NaCl | natural abundance | 100 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | AF9 | [U-100% 13C; U-100% 15N] | 750 uM | |
2 | BCoR | [U-100% 13C; U-100% 15N] | 750 uM | |
3 | Bis-Tris | natural abundance | 9.3 mM | |
4 | MES | natural abundance | 15.8 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | D2O | [U-2H] | 5 % | |
7 | H2O | natural abundance | 95 % | |
8 | NaCl | natural abundance | 100 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | AF9 | [U-100% 13C; U-100% 15N] | 750 uM | |
2 | BCoR | [U-100% 13C; U-100% 15N] | 750 uM | |
3 | Bis-Tris | natural abundance | 9.3 mM | |
4 | MES | natural abundance | 15.8 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | D2O | [U-2H] | 5 % | |
7 | H2O | natural abundance | 95 % | |
8 | NaCl | natural abundance | 100 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | AF9 | [U-100% 13C; U-100% 15N] | 750 uM | |
2 | BCoR | [U-100% 13C; U-100% 15N] | 750 uM | |
3 | Bis-Tris | natural abundance | 9.3 mM | |
4 | MES | natural abundance | 15.8 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | D2O | [U-2H] | 5 % | |
7 | H2O | natural abundance | 95 % | |
8 | NaCl | natural abundance | 100 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | AF9 | [U-100% 13C; U-100% 15N] | 750 uM | |
2 | BCoR | [U-100% 13C; U-100% 15N] | 750 uM | |
3 | Bis-Tris | natural abundance | 9.3 mM | |
4 | MES | natural abundance | 15.8 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | D2O | [U-2H] | 5 % | |
7 | H2O | natural abundance | 95 % | |
8 | NaCl | natural abundance | 100 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | AF9 | [U-100% 13C; U-100% 15N] | 750 uM | |
2 | BCoR | [U-100% 13C; U-100% 15N] | 750 uM | |
3 | Bis-Tris | natural abundance | 9.3 mM | |
4 | MES | natural abundance | 15.8 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | D2O | [U-2H] | 5 % | |
7 | H2O | natural abundance | 95 % | |
8 | NaCl | natural abundance | 100 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | AF9 | [U-100% 13C; U-100% 15N] | 750 uM | |
2 | BCoR | [U-100% 13C; U-100% 15N] | 750 uM | |
3 | Bis-Tris | natural abundance | 9.3 mM | |
4 | MES | natural abundance | 15.8 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | D2O | [U-2H] | 5 % | |
7 | H2O | natural abundance | 95 % | |
8 | NaCl | natural abundance | 100 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | AF9 | [U-100% 13C; U-100% 15N] | 750 uM | |
2 | BCoR | [U-100% 13C; U-100% 15N] | 750 uM | |
3 | Bis-Tris | natural abundance | 9.3 mM | |
4 | MES | natural abundance | 15.8 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | D2O | [U-2H] | 5 % | |
7 | H2O | natural abundance | 95 % | |
8 | NaCl | natural abundance | 100 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | AF9 | [U-100% 13C; U-100% 15N] | 750 uM | |
2 | BCoR | [U-100% 13C; U-100% 15N] | 750 uM | |
3 | Bis-Tris | natural abundance | 9.3 mM | |
4 | MES | natural abundance | 15.8 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | D2O | [U-2H] | 5 % | |
7 | H2O | natural abundance | 95 % | |
8 | NaCl | natural abundance | 100 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | AF9 | [U-100% 13C; U-100% 15N] | 750 uM | |
2 | BCoR | [U-100% 13C; U-100% 15N] | 750 uM | |
3 | Bis-Tris | natural abundance | 9.3 mM | |
4 | MES | natural abundance | 15.8 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | D2O | [U-2H] | 5 % | |
7 | H2O | natural abundance | 95 % | |
8 | NaCl | natural abundance | 100 mM |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | AF9 | [U-100% 13C; U-100% 15N] | 750 uM | |
2 | BCoR | [U-100% 13C; U-100% 15N] | 750 uM | |
3 | Bis-Tris | natural abundance | 9.3 mM | |
4 | MES | natural abundance | 15.8 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | D2O | [U-2H] | 5 % | |
7 | H2O | natural abundance | 95 % | |
8 | NaCl | natural abundance | 100 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | AF9 | [U-100% 13C; U-100% 15N] | 750 uM | |
2 | BCoR | [U-100% 13C; U-100% 15N] | 750 uM | |
3 | Bis-Tris | natural abundance | 9.3 mM | |
4 | MES | natural abundance | 15.8 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | D2O | [U-2H] | 5 % | |
7 | H2O | natural abundance | 95 % | |
8 | NaCl | natural abundance | 100 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_27271_6b7g.nef |
Input source #2: Coordindates | 6b7g.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
-500-----510-------520-------530-------540-------550-------560-------- MDKAYLDELVELHRRLMTLRERHILQQIVNLIEETGHFHITNTTFDFDLCSLDKTTVRKLQSYLETSGTS |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MDKAYLDELVELHRRLMTLRERHILQQIVNLIEETGHFHITNTTFDFDLCSLDKTTVRKLQSYLETSGTS --------10--------20--------30--------40--------50--------60--------70
--1180------1190------1200------- TTNSSSNHLEDPHYSELTNLKVCIELTGLHPKK ||||||||||||||||||||||||||||||||| TTNSSSNHLEDPHYSELTNLKVCIELTGLHPKK --------10--------20--------30---
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 70 | 0 | 0 | 100.0 |
B | B | 33 | 0 | 0 | 100.0 |
Content subtype: combined_27271_6b7g.nef
Assigned chemical shifts
-500-----510-------520-------530-------540-------550-------560-------- MDKAYLDELVELHRRLMTLRERHILQQIVNLIEETGHFHITNTTFDFDLCSLDKTTVRKLQSYLETSGTS ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .DKAYLDELVELHRRLMTLRERHILQQIVNLIEETGHFHITNTTFDFDLCSLDKTTVRKLQSYLETSGTS
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 433 | 401 | 92.6 |
13C chemical shifts | 331 | 310 | 93.7 |
15N chemical shifts | 80 | 73 | 91.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 142 | 138 | 97.2 |
13C chemical shifts | 140 | 137 | 97.9 |
15N chemical shifts | 70 | 68 | 97.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 291 | 263 | 90.4 |
13C chemical shifts | 191 | 173 | 90.6 |
15N chemical shifts | 10 | 5 | 50.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 48 | 46 | 95.8 |
13C chemical shifts | 48 | 46 | 95.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 31 | 22 | 71.0 |
13C chemical shifts | 31 | 22 | 71.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 148 | 138 | 93.2 |
1H chemical shifts | 196 | 166 | 84.7 |
15N chemical shifts | 34 | 31 | 91.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 66 | 62 | 93.9 |
1H chemical shifts | 65 | 63 | 96.9 |
15N chemical shifts | 31 | 30 | 96.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 82 | 76 | 92.7 |
1H chemical shifts | 131 | 103 | 78.6 |
15N chemical shifts | 3 | 1 | 33.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 18 | 18 | 100.0 |
1H chemical shifts | 18 | 16 | 88.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 10 | 4 | 40.0 |
1H chemical shifts | 10 | 0 | 0.0 |
Distance restraints
-500-----510-------520-------530-------540-------550-------560-------- MDKAYLDELVELHRRLMTLRERHILQQIVNLIEETGHFHITNTTFDFDLCSLDKTTVRKLQSYLETSGTS ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .DKAYLDELVELHRRLMTLRERHILQQIVNLIEETGHFHITNTTFDFDLCSLDKTTVRKLQSYLETSGTS
--1180------1190------1200------- TTNSSSNHLEDPHYSELTNLKVCIELTGLHPKK |||||||||||||||||||||||||| .......HLEDPHYSELTNLKVCIELTGLHPKK
Dihedral angle restraints
-500-----510-------520-------530-------540-------550-------560-------- MDKAYLDELVELHRRLMTLRERHILQQIVNLIEETGHFHITNTTFDFDLCSLDKTTVRKLQSYLETSGTS ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .DKAYLDELVELHRRLMTLRERHILQQIVNLIEETGHFHITNTTFDFDLCSLDKTTVRKLQSYLET -500-----510-------520-------530-------540-------550-------560----