HMGB1-facilitated p53 DNA binding occurs via HMG-box/p53 transactivation domain interaction and is regulated by the acidic tail
MEEPQSDPSV EPPLSQETFS DLWKLLPENN VLSPLPSQAM DDLMLSPDDI EQWFTEDPGP DEAPRMPEAA PPVAPAPAAP TPAAPAPAPS WPL
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 94.7 % (1950 of 2060) | 94.5 % (1038 of 1098) | 94.0 % (753 of 801) | 98.8 % (159 of 161) |
Backbone | 95.3 % (955 of 1002) | 97.0 % (321 of 331) | 93.3 % (487 of 522) | 98.7 % (147 of 149) |
Sidechain | 94.0 % (1154 of 1228) | 93.0 % (713 of 767) | 95.8 % (430 of 449) | 91.7 % (11 of 12) |
Aromatic | 100.0 % (150 of 150) | 100.0 % (75 of 75) | 100.0 % (71 of 71) | 100.0 % (4 of 4) |
Methyl | 99.1 % (111 of 112) | 98.2 % (55 of 56) | 100.0 % (56 of 56) |
1. entity 1
GKGDPKKPRG KMSSYAFFVQ TCREEHKKKH PDASVNFSEF SKKCSERWKT MSAKEKGKFE DMAKADKARY EREMKTYIPP KGE2. entity 2
MEEPQSDPSV EPPLSQETFS DLWKLLPENN VLSPLPSQAM DDLMLSPDDI EQWFTEDPGP DEAPRMPEAA PPVAPAPAAP TPAAPAPAPS WPLSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | natural abundance | 0.1 ~ 1.0 mM | |
2 | entity_2 | natural abundance | 0.1 ~ 1.0 mM | |
3 | sodium phosphate | natural abundance | 10 mM | |
4 | EDTA | natural abundance | 1 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | PMSF | natural abundance | 0.5 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
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 DRX - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | natural abundance | 0.1 ~ 1.0 mM | |
2 | entity_2 | natural abundance | 0.1 ~ 1.0 mM | |
3 | sodium phosphate | natural abundance | 10 mM | |
4 | EDTA | natural abundance | 1 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | PMSF | natural abundance | 0.5 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Bruker DRX - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | natural abundance | 0.1 ~ 1.0 mM | |
2 | entity_2 | natural abundance | 0.1 ~ 1.0 mM | |
3 | sodium phosphate | natural abundance | 10 mM | |
4 | EDTA | natural abundance | 1 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | PMSF | natural abundance | 0.5 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Bruker DRX - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | natural abundance | 0.1 ~ 1.0 mM | |
2 | entity_2 | natural abundance | 0.1 ~ 1.0 mM | |
3 | sodium phosphate | natural abundance | 10 mM | |
4 | EDTA | natural abundance | 1 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | PMSF | natural abundance | 0.5 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Bruker DRX - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | natural abundance | 0.1 ~ 1.0 mM | |
2 | entity_2 | natural abundance | 0.1 ~ 1.0 mM | |
3 | sodium phosphate | natural abundance | 10 mM | |
4 | EDTA | natural abundance | 1 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | PMSF | natural abundance | 0.5 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Bruker DRX - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | natural abundance | 0.1 ~ 1.0 mM | |
2 | entity_2 | natural abundance | 0.1 ~ 1.0 mM | |
3 | sodium phosphate | natural abundance | 10 mM | |
4 | EDTA | natural abundance | 1 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | PMSF | natural abundance | 0.5 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Bruker DRX - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | natural abundance | 0.1 ~ 1.0 mM | |
2 | entity_2 | natural abundance | 0.1 ~ 1.0 mM | |
3 | sodium phosphate | natural abundance | 10 mM | |
4 | EDTA | natural abundance | 1 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | PMSF | natural abundance | 0.5 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Bruker DRX - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | natural abundance | 0.1 ~ 1.0 mM | |
2 | entity_2 | natural abundance | 0.1 ~ 1.0 mM | |
3 | sodium phosphate | natural abundance | 10 mM | |
4 | EDTA | natural abundance | 1 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | PMSF | natural abundance | 0.5 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Bruker DRX - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | natural abundance | 0.1 ~ 1.0 mM | |
2 | entity_2 | natural abundance | 0.1 ~ 1.0 mM | |
3 | sodium phosphate | natural abundance | 10 mM | |
4 | EDTA | natural abundance | 1 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | PMSF | natural abundance | 0.5 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Bruker DRX - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | natural abundance | 0.1 ~ 1.0 mM | |
2 | entity_2 | natural abundance | 0.1 ~ 1.0 mM | |
3 | sodium phosphate | natural abundance | 10 mM | |
4 | EDTA | natural abundance | 1 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | PMSF | natural abundance | 0.5 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Bruker DRX - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | natural abundance | 0.1 ~ 1.0 mM | |
2 | entity_2 | natural abundance | 0.1 ~ 1.0 mM | |
3 | sodium phosphate | natural abundance | 10 mM | |
4 | EDTA | natural abundance | 1 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | PMSF | natural abundance | 0.5 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Bruker DRX - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | natural abundance | 0.1 ~ 1.0 mM | |
2 | entity_2 | natural abundance | 0.1 ~ 1.0 mM | |
3 | sodium phosphate | natural abundance | 10 mM | |
4 | EDTA | natural abundance | 1 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | PMSF | natural abundance | 0.5 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Bruker DRX - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | natural abundance | 0.1 ~ 1.0 mM | |
2 | entity_2 | natural abundance | 0.1 ~ 1.0 mM | |
3 | sodium phosphate | natural abundance | 10 mM | |
4 | EDTA | natural abundance | 1 mM | |
5 | DTT | natural abundance | 1 mM | |
6 | PMSF | natural abundance | 0.5 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_18709_2ly4.nef |
Input source #2: Coordindates | 2ly4.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--- GKGDPKKPRGKMSSYAFFVQTCREEHKKKHPDASVNFSEFSKKCSERWKTMSAKEKGKFEDMAKADKARYEREMKTYIPPKGE ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GKGDPKKPRGKMSSYAFFVQTCREEHKKKHPDASVNFSEFSKKCSERWKTMSAKEKGKFEDMAKADKARYEREMKTYIPPKGE
--------10--------20--------30--------40--------50--------60--------70--------80--------90--- MEEPQSDPSVEPPLSQETFSDLWKLLPENNVLSPLPSQAMDDLMLSPDDIEQWFTEDPGPDEAPRMPEAAPPVAPAPAAPTPAAPAPAPSWPL ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MEEPQSDPSVEPPLSQETFSDLWKLLPENNVLSPLPSQAMDDLMLSPDDIEQWFTEDPGPDEAPRMPEAAPPVAPAPAAPTPAAPAPAPSWPL
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 83 | 0 | 0 | 100.0 |
B | B | 93 | 0 | 0 | 100.0 |
Content subtype: combined_18709_2ly4.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--- GKGDPKKPRGKMSSYAFFVQTCREEHKKKHPDASVNFSEFSKKCSERWKTMSAKEKGKFEDMAKADKARYEREMKTYIPPKGE |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .KGDPKKPRGKMSSYAFFVQTCREEHKKKHPDASVNFSEFSKKCSERWKTMSAKEKGKFEDMAKADKARYEREMKTYIPPKGE
--------10--------20--------30--------40--------50--------60--------70--------80--------90--- MEEPQSDPSVEPPLSQETFSDLWKLLPENNVLSPLPSQAMDDLMLSPDDIEQWFTEDPGPDEAPRMPEAAPPVAPAPAAPTPAAPAPAPSWPL |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| |||||||||||||||||||||| MEEPQSDPSVEPPLSQETFSDLWKLLPENNVLSPLPSQAMDDLMLSPDDIEQWFTEDPGPDEAPRMPEAA.PVAPAPAAPTPAAPAPAPSWPL
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 551 | 534 | 96.9 |
13C chemical shifts | 389 | 379 | 97.4 |
15N chemical shifts | 86 | 80 | 93.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 166 | 163 | 98.2 |
13C chemical shifts | 166 | 158 | 95.2 |
15N chemical shifts | 78 | 77 | 98.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 385 | 371 | 96.4 |
13C chemical shifts | 223 | 221 | 99.1 |
15N chemical shifts | 8 | 3 | 37.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 19 | 19 | 100.0 |
13C chemical shifts | 19 | 19 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 47 | 47 | 100.0 |
13C chemical shifts | 46 | 46 | 100.0 |
15N chemical shifts | 1 | 1 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 547 | 512 | 93.6 |
13C chemical shifts | 412 | 370 | 89.8 |
15N chemical shifts | 81 | 79 | 97.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 165 | 162 | 98.2 |
13C chemical shifts | 186 | 159 | 85.5 |
15N chemical shifts | 71 | 70 | 98.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 382 | 350 | 91.6 |
13C chemical shifts | 226 | 211 | 93.4 |
15N chemical shifts | 10 | 9 | 90.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 45 | 44 | 97.8 |
13C chemical shifts | 45 | 44 | 97.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 28 | 28 | 100.0 |
13C chemical shifts | 25 | 25 | 100.0 |
15N chemical shifts | 3 | 3 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--- GKGDPKKPRGKMSSYAFFVQTCREEHKKKHPDASVNFSEFSKKCSERWKTMSAKEKGKFEDMAKADKARYEREMKTYIPPKGE |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .KGDPKKPRGKMSSYAFFVQTCREEHKKKHPDASVNFSEFSKKCSERWKTMSAKEKGKFEDMAKADKARYEREMKTYIPPKGE
--------10--------20--------30--------40--------50--------60--------70--------80--------90--- MEEPQSDPSVEPPLSQETFSDLWKLLPENNVLSPLPSQAMDDLMLSPDDIEQWFTEDPGPDEAPRMPEAAPPVAPAPAAPTPAAPAPAPSWPL ||||||||||||||||||||||||||||||||||||||||||||||| .............LSQETFSDLWKLLPENNVLSPLPSQAMDDLMLSPDDIEQWFTEDPGP --------10--------20--------30--------40--------50--------60
--------10--------20--------30--------40--------50--------60--------70--------80--- GKGDPKKPRGKMSSYAFFVQTCREEHKKKHPDASVNFSEFSKKCSERWKTMSAKEKGKFEDMAKADKARYEREMKTYIPPKGE |||||||||||||||| |||||||||||||| ||||||||||||||||||||||| .............SYAFFVQTCREEHKKK.......FSEFSKKCSERWKT..AKEKGKFEDMAKADKARYEREMK --------10--------20--------30--------40--------50--------60--------70-----
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--- GKGDPKKPRGKMSSYAFFVQTCREEHKKKHPDASVNFSEFSKKCSERWKTMSAKEKGKFEDMAKADKARYEREMKTYIPPKGE |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ...DPKKPRGKMSSYAFFVQTCREEHKKKHPDASVNFSEFSKKCSERWKTMSAKEKGKFEDMAKADKARYEREMKTYIPPK --------10--------20--------30--------40--------50--------60--------70--------80-