Solution NMR structure of CBX8 in complex with AF9 (CBX8-AF9)
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 86.6 % (957 of 1105) | 80.5 % (462 of 574) | 93.8 % (407 of 434) | 90.7 % (88 of 97) |
Backbone | 95.3 % (532 of 558) | 93.7 % (178 of 190) | 96.0 % (266 of 277) | 96.7 % (88 of 91) |
Sidechain | 80.7 % (513 of 636) | 74.0 % (284 of 384) | 93.1 % (229 of 246) | 0.0 % (0 of 6) |
Aromatic | 100.0 % (62 of 62) | 100.0 % (31 of 31) | 100.0 % (31 of 31) | |
Methyl | 77.9 % (95 of 122) | 73.8 % (45 of 61) | 82.0 % (50 of 61) |
1. Chromobox protein homolog 8
TQGGRPSLIA RIPVARILGD PEEE2. Protein AF-9
MDKAYLDELV ELHRRLMTLR ERHILQQIVN LIEETGHFHI TNTTFDFDLC SLDKTTVRKL QSYLETSGTSSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Chromobox protein homolog 8 | [U-100% 13C; U-100% 15N] | 750 uM | |
2 | Protein AF-9 | [U-100% 13C; U-100% 15N] | 750 uM | |
3 | BIS-TRIS | natural abundance | 9.5 mM | |
4 | MES | natural abundance | 15.8 mM | |
5 | sodium chloride | natural abundance | 100 mM | |
6 | DTT | natural abundance | 1 mM | |
7 | D2O | natural abundance | 5 % | |
8 | H2O | natural abundance | 95 % |
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 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Chromobox protein homolog 8 | [U-100% 13C; U-100% 15N] | 750 uM | |
2 | Protein AF-9 | [U-100% 13C; U-100% 15N] | 750 uM | |
3 | BIS-TRIS | natural abundance | 9.5 mM | |
4 | MES | natural abundance | 15.8 mM | |
5 | sodium chloride | natural abundance | 100 mM | |
6 | DTT | natural abundance | 1 mM | |
7 | D2O | natural abundance | 5 % | |
8 | H2O | natural abundance | 95 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Chromobox protein homolog 8 | [U-100% 13C; U-100% 15N] | 750 uM | |
2 | Protein AF-9 | [U-100% 13C; U-100% 15N] | 750 uM | |
3 | BIS-TRIS | natural abundance | 9.5 mM | |
4 | MES | natural abundance | 15.8 mM | |
5 | sodium chloride | natural abundance | 100 mM | |
6 | DTT | natural abundance | 1 mM | |
7 | D2O | natural abundance | 5 % | |
8 | H2O | natural abundance | 95 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Chromobox protein homolog 8 | [U-100% 13C; U-100% 15N] | 750 uM | |
2 | Protein AF-9 | [U-100% 13C; U-100% 15N] | 750 uM | |
3 | BIS-TRIS | natural abundance | 9.5 mM | |
4 | MES | natural abundance | 15.8 mM | |
5 | sodium chloride | natural abundance | 100 mM | |
6 | DTT | natural abundance | 1 mM | |
7 | D2O | natural abundance | 5 % | |
8 | H2O | natural abundance | 95 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Chromobox protein homolog 8 | [U-100% 13C; U-100% 15N] | 750 uM | |
2 | Protein AF-9 | [U-100% 13C; U-100% 15N] | 750 uM | |
3 | BIS-TRIS | natural abundance | 9.5 mM | |
4 | MES | natural abundance | 15.8 mM | |
5 | sodium chloride | natural abundance | 100 mM | |
6 | DTT | natural abundance | 1 mM | |
7 | D2O | natural abundance | 5 % | |
8 | H2O | natural abundance | 95 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Chromobox protein homolog 8 | [U-100% 13C; U-100% 15N] | 750 uM | |
2 | Protein AF-9 | [U-100% 13C; U-100% 15N] | 750 uM | |
3 | BIS-TRIS | natural abundance | 9.5 mM | |
4 | MES | natural abundance | 15.8 mM | |
5 | sodium chloride | natural abundance | 100 mM | |
6 | DTT | natural abundance | 1 mM | |
7 | D2O | natural abundance | 5 % | |
8 | H2O | natural abundance | 95 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Chromobox protein homolog 8 | [U-100% 13C; U-100% 15N] | 750 uM | |
2 | Protein AF-9 | [U-100% 13C; U-100% 15N] | 750 uM | |
3 | BIS-TRIS | natural abundance | 9.5 mM | |
4 | MES | natural abundance | 15.8 mM | |
5 | sodium chloride | natural abundance | 100 mM | |
6 | DTT | natural abundance | 1 mM | |
7 | D2O | natural abundance | 5 % | |
8 | H2O | natural abundance | 95 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Chromobox protein homolog 8 | [U-100% 13C; U-100% 15N] | 750 uM | |
2 | Protein AF-9 | [U-100% 13C; U-100% 15N] | 750 uM | |
3 | BIS-TRIS | natural abundance | 9.5 mM | |
4 | MES | natural abundance | 15.8 mM | |
5 | sodium chloride | natural abundance | 100 mM | |
6 | DTT | natural abundance | 1 mM | |
7 | D2O | natural abundance | 5 % | |
8 | H2O | natural abundance | 95 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Chromobox protein homolog 8 | [U-100% 13C; U-100% 15N] | 750 uM | |
2 | Protein AF-9 | [U-100% 13C; U-100% 15N] | 750 uM | |
3 | BIS-TRIS | natural abundance | 9.5 mM | |
4 | MES | natural abundance | 15.8 mM | |
5 | sodium chloride | natural abundance | 100 mM | |
6 | DTT | natural abundance | 1 mM | |
7 | D2O | natural abundance | 5 % | |
8 | H2O | natural abundance | 95 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Chromobox protein homolog 8 | [U-100% 13C; U-100% 15N] | 750 uM | |
2 | Protein AF-9 | [U-100% 13C; U-100% 15N] | 750 uM | |
3 | BIS-TRIS | natural abundance | 9.5 mM | |
4 | MES | natural abundance | 15.8 mM | |
5 | sodium chloride | natural abundance | 100 mM | |
6 | DTT | natural abundance | 1 mM | |
7 | D2O | natural abundance | 5 % | |
8 | H2O | natural abundance | 95 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Chromobox protein homolog 8 | [U-100% 13C; U-100% 15N] | 750 uM | |
2 | Protein AF-9 | [U-100% 13C; U-100% 15N] | 750 uM | |
3 | BIS-TRIS | natural abundance | 9.5 mM | |
4 | MES | natural abundance | 15.8 mM | |
5 | sodium chloride | natural abundance | 100 mM | |
6 | DTT | natural abundance | 1 mM | |
7 | D2O | natural abundance | 5 % | |
8 | H2O | natural abundance | 95 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_25677_2n4q.nef |
Input source #2: Coordindates | 2n4q.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
--330-------340--------- TQGGRPSLIARIPVARILGDPEEE |||||||||||||||||||||||| TQGGRPSLIARIPVARILGDPEEE --------10--------20----
-500-----510-------520-------530-------540-------550-------560-------- MDKAYLDELVELHRRLMTLRERHILQQIVNLIEETGHFHITNTTFDFDLCSLDKTTVRKLQSYLETSGTS |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MDKAYLDELVELHRRLMTLRERHILQQIVNLIEETGHFHITNTTFDFDLCSLDKTTVRKLQSYLETSGTS --------10--------20--------30--------40--------50--------60--------70
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 24 | 0 | 0 | 100.0 |
B | B | 70 | 0 | 0 | 100.0 |
Content subtype: combined_25677_2n4q.nef
Assigned chemical shifts
--330-------340--------- TQGGRPSLIARIPVARILGDPEEE |||||||||||||||||||||||| TQGGRPSLIARIPVARILGDPEEE
-500-----510-------520-------530-------540-------550-------560-------- MDKAYLDELVELHRRLMTLRERHILQQIVNLIEETGHFHITNTTFDFDLCSLDKTTVRKLQSYLETSGTS ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .DKAYLDELVELHRRLMTLRERHILQQIVNLIEETGHFHITNTTFDFDLCSLDKTTVRKLQSYLETSGTS
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 103 | 95 | 92.2 |
1H chemical shifts | 141 | 106 | 75.2 |
15N chemical shifts | 25 | 20 | 80.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 48 | 42 | 87.5 |
1H chemical shifts | 48 | 39 | 81.2 |
15N chemical shifts | 21 | 20 | 95.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 55 | 53 | 96.4 |
1H chemical shifts | 93 | 67 | 72.0 |
15N chemical shifts | 4 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 15 | 14 | 93.3 |
1H chemical shifts | 15 | 13 | 86.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 331 | 311 | 94.0 |
1H chemical shifts | 433 | 346 | 79.9 |
15N chemical shifts | 80 | 68 | 85.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 140 | 136 | 97.1 |
1H chemical shifts | 142 | 138 | 97.2 |
15N chemical shifts | 70 | 68 | 97.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 191 | 175 | 91.6 |
1H chemical shifts | 291 | 208 | 71.5 |
15N chemical shifts | 10 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 48 | 36 | 75.0 |
1H chemical shifts | 48 | 32 | 66.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 31 | 30 | 96.8 |
1H chemical shifts | 31 | 30 | 96.8 |
Distance restraints
--330-------340--------- TQGGRPSLIARIPVARILGDPEEE |||||||||||||||| |||| ...GRPSLIARIPVARILG.PEEE
-500-----510-------520-------530-------540-------550-------560-------- MDKAYLDELVELHRRLMTLRERHILQQIVNLIEETGHFHITNTTFDFDLCSLDKTTVRKLQSYLETSGTS |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..KAYLDELVELHRRLMTLRERHILQQIVNLIEETGHFHITNTTFDFDLCSLDKTTVRKLQSYLETSGTS
Dihedral angle restraints
--330-------340--------- TQGGRPSLIARIPVARILGDPEEE ||||||||||||||| ....RPSLIARIPVARILG --330-------340----
-500-----510-------520-------530-------540-------550-------560-------- MDKAYLDELVELHRRLMTLRERHILQQIVNLIEETGHFHITNTTFDFDLCSLDKTTVRKLQSYLETSGTS ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..KAYLDELVELHRRLMTLRERHILQQIVNLIEETGHFHITNTTFDFDLCSLDKTTVRKLQSYLE -500-----510-------520-------530-------540-------550-------560---