Backbone 1H, 13C, and 15N Chemical Shift Assignments for Complex of MDM2(3-109) and p73 TAD(10-25)
NTNMSVPTDG AVTTSQIPAS EQETLVRPKP LLLKLLKSVG AQKDTYTMKE VLFYLGQYIM TKRLYDEKQQ HIVYCSNDLL GDLFGVPSFS VKEHRKIYTM IYRNLVV
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 78.6 % (1155 of 1470) | 82.7 % (630 of 762) | 70.9 % (411 of 580) | 89.1 % (114 of 128) |
Backbone | 81.3 % (590 of 726) | 92.3 % (228 of 247) | 69.6 % (252 of 362) | 94.0 % (110 of 117) |
Sidechain | 78.7 % (677 of 860) | 78.1 % (402 of 515) | 81.1 % (271 of 334) | 36.4 % (4 of 11) |
Aromatic | 45.8 % (55 of 120) | 61.7 % (37 of 60) | 28.8 % (17 of 59) | 100.0 % (1 of 1) |
Methyl | 96.6 % (143 of 148) | 97.3 % (72 of 74) | 95.9 % (71 of 74) |
1. entity 1
NTNMSVPTDG AVTTSQIPAS EQETLVRPKP LLLKLLKSVG AQKDTYTMKE VLFYLGQYIM TKRLYDEKQQ HIVYCSNDLL GDLFGVPSFS VKEHRKIYTM IYRNLVV2. entity 2
DGGTTFEHLW SSLEPDSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MDM2(3-109) | [U-95% 13C; U-95% 15N] | 0.9 mM | |
2 | p73 TAD(10-25) | [U-95% 13C; U-95% 15N] | 0.9 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MDM2(3-109) | [U-95% 13C; U-95% 15N] | 0.9 mM | |
2 | p73 TAD(10-25) | [U-95% 13C; U-95% 15N] | 0.9 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MDM2(3-109) | [U-95% 13C; U-95% 15N] | 0.9 mM | |
2 | p73 TAD(10-25) | [U-95% 13C; U-95% 15N] | 0.9 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MDM2(3-109) | [U-95% 13C; U-95% 15N] | 0.9 mM | |
2 | p73 TAD(10-25) | [U-95% 13C; U-95% 15N] | 0.9 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MDM2(3-109) | [U-95% 13C; U-95% 15N] | 0.9 mM | |
2 | p73 TAD(10-25) | [U-95% 13C; U-95% 15N] | 0.9 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MDM2(3-109) | [U-95% 13C; U-95% 15N] | 0.9 mM | |
2 | p73 TAD(10-25) | [U-95% 13C; U-95% 15N] | 0.9 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MDM2(3-109) | [U-95% 13C; U-95% 15N] | 0.9 mM | |
2 | p73 TAD(10-25) | [U-95% 13C; U-95% 15N] | 0.9 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MDM2(3-109) | [U-95% 13C; U-95% 15N] | 0.9 mM | |
2 | p73 TAD(10-25) | [U-95% 13C; U-95% 15N] | 0.9 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MDM2(3-109) | [U-95% 13C; U-95% 15N] | 0.9 mM | |
2 | p73 TAD(10-25) | [U-95% 13C; U-95% 15N] | 0.9 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MDM2(3-109) | [U-95% 13C; U-95% 15N] | 0.9 mM | |
2 | p73 TAD(10-25) | [U-95% 13C; U-95% 15N] | 0.9 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MDM2(3-109) | [U-95% 13C; U-95% 15N] | 0.9 mM | |
2 | p73 TAD(10-25) | [U-95% 13C; U-95% 15N] | 0.9 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MDM2(3-109) | [U-95% 13C; U-95% 15N] | 0.9 mM | |
2 | p73 TAD(10-25) | [U-95% 13C; U-95% 15N] | 0.9 mM | |
3 | H2O | natural abundance | 90 % | |
4 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints | combined_18876_2mps.nef |
Input source #2: Coordindates | 2mps.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--------90-------100-- NTNMSVPTDGAVTTSQIPASEQETLVRPKPLLLKLLKSVGAQKDTYTMKEVLFYLGQYIMTKRLYDEKQQHIVYCSNDLLGDLFGVPSFSVKEHRKIYTM |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| NTNMSVPTDGAVTTSQIPASEQETLVRPKPLLLKLLKSVGAQKDTYTMKEVLFYLGQYIMTKRLYDEKQQHIVYCSNDLLGDLFGVPSFSVKEHRKIYTM --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 ------- IYRNLVV ||||||| IYRNLVV -------
-------310------ DGGTTFEHLWSSLEPD |||||||||||||||| DGGTTFEHLWSSLEPD --------10------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 107 | 0 | 0 | 100.0 |
B | B | 16 | 0 | 0 | 100.0 |
Content subtype: combined_18876_2mps.nef
Assigned chemical shifts
------10--------20--------30--------40--------50--------60--------70--------80--------90-------100-- NTNMSVPTDGAVTTSQIPASEQETLVRPKPLLLKLLKSVGAQKDTYTMKEVLFYLGQYIMTKRLYDEKQQHIVYCSNDLLGDLFGVPSFSVKEHRKIYTM ||||||||||||| |||||||||||| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .TNMSVPTDGAVTT.QIPASEQETLVR..PLLLKLLKSVGAQKDTYTMKEVLFYLGQYIMTKRLYDEKQQHIVYCSNDLLGDLFGVPSFSVKEHRKIYTM ------- IYRNLVV ||||||| IYRNLVV
-------310------ DGGTTFEHLWSSLEPD |||||||||||||||| DGGTTFEHLWSSLEPD
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 674 | 534 | 79.2 |
13C chemical shifts | 510 | 340 | 66.7 |
15N chemical shifts | 116 | 96 | 82.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 214 | 194 | 90.7 |
13C chemical shifts | 214 | 103 | 48.1 |
15N chemical shifts | 102 | 93 | 91.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 460 | 340 | 73.9 |
13C chemical shifts | 296 | 237 | 80.1 |
15N chemical shifts | 14 | 3 | 21.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 72 | 67 | 93.1 |
13C chemical shifts | 72 | 67 | 93.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 47 | 28 | 59.6 |
13C chemical shifts | 47 | 12 | 25.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 88 | 81 | 92.0 |
13C chemical shifts | 70 | 44 | 62.9 |
15N chemical shifts | 16 | 15 | 93.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 33 | 31 | 93.9 |
13C chemical shifts | 32 | 16 | 50.0 |
15N chemical shifts | 15 | 14 | 93.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 55 | 50 | 90.9 |
13C chemical shifts | 38 | 28 | 73.7 |
15N chemical shifts | 1 | 1 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 6 | 6 | 100.0 |
13C chemical shifts | 6 | 5 | 83.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 13 | 9 | 69.2 |
13C chemical shifts | 12 | 4 | 33.3 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
------10--------20--------30--------40--------50--------60--------70--------80--------90-------100-- NTNMSVPTDGAVTTSQIPASEQETLVRPKPLLLKLLKSVGAQKDTYTMKEVLFYLGQYIMTKRLYDEKQQHIVYCSNDLLGDLFGVPSFSVKEHRKIYTM ||||||||| ||||||| |||| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ....SVPTDGAVT..QIPASEQ.TLVR..PLLLKLLKSVGAQKDTYTMKEVLFYLGQYIMTKRLYDEKQQHIVYCSNDLLGDLFGVPSFSVKEHRKIYTM ------- IYRNLVV ||||||| IYRNLVV
-------310------ DGGTTFEHLWSSLEPD |||||||||||||||| DGGTTFEHLWSSLEPD
Dihedral angle restraints
------10--------20--------30--------40--------50--------60--------70--------80--------90-------100-- NTNMSVPTDGAVTTSQIPASEQETLVRPKPLLLKLLKSVGAQKDTYTMKEVLFYLGQYIMTKRLYDEKQQHIVYCSNDLLGDLFGVPSFSVKEHRKIYTM ||||| |||||||||||||||||||||||||||||||||||||||||||||| ||||||||||||||||||||||| .......................TLVRP.PLLLKLLKSVGAQKDTYTMKEVLFYLGQYIMTKRLYDEKQQHIVYC..DLLGDLFGVPSFSVKEHRKIYTM ------- IYRNLVV ||||||| IYRNLVV
-------310------ DGGTTFEHLWSSLEPD || |||||||||||| DG.TTFEHLWSSLEP -------310-----
RDC restraints