Structure of CBP nuclear coactivator binding domain in complex with p53 TAD
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 96.9 % (1249 of 1289) | 98.4 % (672 of 683) | 94.1 % (461 of 490) | 100.0 % (116 of 116) |
Backbone | 96.8 % (602 of 622) | 100.0 % (205 of 205) | 93.8 % (302 of 322) | 100.0 % (95 of 95) |
Sidechain | 97.3 % (752 of 773) | 97.7 % (467 of 478) | 96.4 % (264 of 274) | 100.0 % (21 of 21) |
Aromatic | 74.2 % (46 of 62) | 74.2 % (23 of 31) | 72.4 % (21 of 29) | 100.0 % (2 of 2) |
Methyl | 100.0 % (108 of 108) | 100.0 % (54 of 54) | 100.0 % (54 of 54) |
1. CBP
PNRSISPSAL QDLLRTLKSP SSPQQQQQVL NILKSNPQLM AAFIKQRTAK YVANQPGMQ2. TAD
PLSQETFSDL WKLLPENNVL SPLPSQAMDD LMLSPDDIEQ WFTEDPGPDSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CBP | [U-99% 15N] | 0.5 mM | |
2 | TAD | [U-99% 15N] | 0.5 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | CBP | [U-99% 13C; U-99% 15N] | 0.5 mM | |
6 | TAD | [U-99% 13C; U-99% 15N] | 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 - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CBP | [U-99% 15N] | 0.5 mM | |
2 | TAD | [U-99% 15N] | 0.5 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker Avance - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | CBP | [U-99% 13C; U-99% 15N] | 0.5 mM | |
6 | TAD | [U-99% 13C; U-99% 15N] | 0.5 mM | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Bruker DRX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CBP | [U-99% 15N] | 0.5 mM | |
2 | TAD | [U-99% 15N] | 0.5 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker DRX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CBP | [U-99% 15N] | 0.5 mM | |
2 | TAD | [U-99% 15N] | 0.5 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker DRX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CBP | [U-99% 15N] | 0.5 mM | |
2 | TAD | [U-99% 15N] | 0.5 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker DRX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CBP | [U-99% 15N] | 0.5 mM | |
2 | TAD | [U-99% 15N] | 0.5 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker DRX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CBP | [U-99% 15N] | 0.5 mM | |
2 | TAD | [U-99% 15N] | 0.5 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker Avance - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CBP | [U-99% 15N] | 0.5 mM | |
2 | TAD | [U-99% 15N] | 0.5 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker DRX - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CBP | [U-99% 15N] | 0.5 mM | |
2 | TAD | [U-99% 15N] | 0.5 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker Avance - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CBP | [U-99% 15N] | 0.5 mM | |
2 | TAD | [U-99% 15N] | 0.5 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker Avance - 900 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | CBP | [U-99% 13C; U-99% 15N] | 0.5 mM | |
6 | TAD | [U-99% 13C; U-99% 15N] | 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_17073_2l14.nef |
Input source #2: Coordindates | 2l14.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
-2060---2070------2080------2090------2100------2110------- PNRSISPSALQDLLRTLKSPSSPQQQQQVLNILKSNPQLMAAFIKQRTAKYVANQPGMQ ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| PNRSISPSALQDLLRTLKSPSSPQQQQQVLNILKSNPQLMAAFIKQRTAKYVANQPGMQ --------10--------20--------30--------40--------50---------
------20--------30--------40--------50--------60- PLSQETFSDLWKLLPENNVLSPLPSQAMDDLMLSPDDIEQWFTEDPGPD ||||||||||||||||||||||||||||||||||||||||||||||||| PLSQETFSDLWKLLPENNVLSPLPSQAMDDLMLSPDDIEQWFTEDPGPD --------10--------20--------30--------40---------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 59 | 0 | 0 | 100.0 |
B | B | 49 | 0 | 0 | 100.0 |
Content subtype: combined_17073_2l14.nef
Assigned chemical shifts
-2060---2070------2080------2090------2100------2110------- PNRSISPSALQDLLRTLKSPSSPQQQQQVLNILKSNPQLMAAFIKQRTAKYVANQPGMQ ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| PNRSISPSALQDLLRTLKSPSSPQQQQQVLNILKSNPQLMAAFIKQRTAKYVANQPGMQ
------20--------30--------40--------50--------60- PLSQETFSDLWKLLPENNVLSPLPSQAMDDLMLSPDDIEQWFTEDPGPD ||||||||||||||||||||||||||||||||||||||||||||||||| PLSQETFSDLWKLLPENNVLSPLPSQAMDDLMLSPDDIEQWFTEDPGPD
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 382 | 374 | 97.9 |
13C chemical shifts | 265 | 249 | 94.0 |
15N chemical shifts | 70 | 66 | 94.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 113 | 112 | 99.1 |
13C chemical shifts | 118 | 108 | 91.5 |
15N chemical shifts | 53 | 52 | 98.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 269 | 262 | 97.4 |
13C chemical shifts | 147 | 141 | 95.9 |
15N chemical shifts | 17 | 14 | 82.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 33 | 33 | 100.0 |
13C chemical shifts | 33 | 33 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 9 | 5 | 55.6 |
13C chemical shifts | 9 | 5 | 55.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 301 | 297 | 98.7 |
13C chemical shifts | 225 | 211 | 93.8 |
15N chemical shifts | 49 | 49 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 92 | 92 | 100.0 |
13C chemical shifts | 98 | 88 | 89.8 |
15N chemical shifts | 42 | 42 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 209 | 205 | 98.1 |
13C chemical shifts | 127 | 123 | 96.9 |
15N chemical shifts | 7 | 7 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 25 | 25 | 100.0 |
13C chemical shifts | 25 | 25 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 22 | 18 | 81.8 |
13C chemical shifts | 20 | 16 | 80.0 |
15N chemical shifts | 2 | 2 | 100.0 |
Distance restraints
-2060---2070------2080------2090------2100------2110------- PNRSISPSALQDLLRTLKSPSSPQQQQQVLNILKSNPQLMAAFIKQRTAKYVANQPGMQ |||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .NRSISPSALQDLLRTLKSPSSPQQQQQVLNILKSNPQLMAAFIKQRTAKYVANQPGMQ
------20--------30--------40--------50--------60- PLSQETFSDLWKLLPENNVLSPLPSQAMDDLMLSPDDIEQWFTEDPGPD ||||||||||||||||||||||||||||||||||||||||||||||||| PLSQETFSDLWKLLPENNVLSPLPSQAMDDLMLSPDDIEQWFTEDPGPD
Dihedral angle restraints
-2060---2070------2080------2090------2100------2110------- PNRSISPSALQDLLRTLKSPSSPQQQQQVLNILKSNPQLMAAFIKQRTAKYVANQPGMQ ||||| |||||||||||| |||||||||||||||| ||||||||||||||||||| || PNRSI.PSALQDLLRTLK.PSSPQQQQQVLNILKS.PQLMAAFIKQRTAKYVANQ.GM -2060---2070------2080------2090------2100------2110------
------20--------30--------40--------50--------60- PLSQETFSDLWKLLPENNVLSPLPSQAMDDLMLSPDDIEQWFTEDPGPD |||||||||||| |||| ||||||| || ||||||||||| ..SQETFSDLWKLL...NVLS..PSQAMDD.ML.PDDIEQWFTED ------20--------30--------40--------50-------