BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 6248

Title: NMR Structure of a Complex Between MDM2 and a Small Molecule Inhibitor

Authors: Fry, David; Emerson, Stephen; Palme, Stefan; Vu, Binh; Liu, Chao; Podlaski, Frank

Citation: Fry, David; Emerson, Stephen; Palme, Stefan; Vu, Binh; Liu, Chao-Min; Podlaski, Frank. "NMR Structure of a Complex Between MDM2 and a Small Molecule Inhibitor"  J. Biomol. NMR 30, 163-173 (2004).

Assembly members:
Double minute 2 protein, polymer, 107 residues, Formula weight is not available
IMY, non-polymer, 567.506 Da.

Natural source:   Common Name: African clawed frog   Taxonomy ID: 8355   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Xenopus laevis

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):
Double minute 2 protein: NHISTSDQEKLVQPTPLLLS LLKSAGAQKETFTMKEVLYH LGQYIMAKQLYDEKQQHIVH CSNDPLGELFGVQEFSVKEH RRIYAMISRNLVSANVKESS EDIFGNV

Data sets:
Data typeCount
13C chemical shifts373
15N chemical shifts114
1H chemical shifts760

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1MDM21
2IMY ligand2

Entities:

Entity 1, MDM2 107 residues - Formula weight is not available

1   ASNHISILESERTHRSERASPGLNGLULYS
2   LEUVALGLNPROTHRPROLEULEULEUSER
3   LEULEULYSSERALAGLYALAGLNLYSGLU
4   THRPHETHRMETLYSGLUVALLEUTYRHIS
5   LEUGLYGLNTYRILEMETALALYSGLNLEU
6   TYRASPGLULYSGLNGLNHISILEVALHIS
7   CYSSERASNASPPROLEUGLYGLULEUPHE
8   GLYVALGLNGLUPHESERVALLYSGLUHIS
9   ARGARGILETYRALAMETILESERARGASN
10   LEUVALSERALAASNVALLYSGLUSERSER
11   GLUASPILEPHEGLYASNVAL

Entity 2, IMY ligand - C30 H32 Cl2 N4 O3 - 567.506 Da.

1   IMY

Samples:

Sample_1: Double minute 2 protein, [U-13C; U-15N], 0.6 mM; 1-{[4,5-BIS(4-CHLOROPHENYL)-2-(2-ISOPROPOXY-4-METHOXYPHENYL)-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]CARBONYL}PIPERAZINE 0.6 mM; MES, [d-13], 50 mM; KCl 150 mM; DTT, [d-10], 50 mM; NaN3 1.5 mM; D2O 8%

Condition_1: pH: 7.0 na; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
1H-15N-HSQCSample_1not availableCondition_1
1H-1H-15N-NOESY-HSQCSample_1not availableCondition_1
1H-1H-15N-TOCSY-HSQCSample_1not availableCondition_1
1H-1H-13C-HCCH-TOCSYSample_1not availableCondition_1
HNCACBSample_1not availableCondition_1
CBCACONHSample_1not availableCondition_1
13C/15N-filtered-1H-1H-NOESYSample_1not availableCondition_1

Software:

FELIX v2000 - Data processing

NMRView v5.0.3 - Data analysis

NMR spectrometers:

  • Varian Inova 600 MHz

Related Database Links:

PDB
GB AAH74153
REF NP_001086070
SP P56273