PDB 3tj2 biological assemblies and structure analysis ‹ Protein Data Bank in Europe (PDBe)

Assemblies

Assembly 1 (preferred)

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Assembly Name: E3 ubiquitin-protein ligase Mdm2
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Multimeric state: monomeric

Accessible surface area: 5509.05 Å²

Buried surface area: 368.24 Å²

Dissociation area: 74.28 Å²

Dissociation energy (ΔG^diss): 0.24 kcal/mol

Dissociation entropy (TΔS^diss): 0.06 kcal/mol

Symmetry number: 1

PDBe Complex ID: PDB-CPX-169499

$Monomeric assembly 1 of PDB entry 3tj2 coloured by chemically distinct molecules, front view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>1 copy of E3 ubiquitin-protein ligase Mdm2;</li> <li class='image_legend_li'>1 copy of 3-{(1S)-2-(tert-butylamino)-1-[(4-chlorobenzyl)(formyl)amino]-2-oxoethyl}-6-chloro-1H-indole-2-carboxylic acid;</li> <li class='image_legend_li'>1 copy of POTASSIUM ION;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

$Monomeric assembly 1 of PDB entry 3tj2 coloured by chemically distinct molecules, side view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>1 copy of E3 ubiquitin-protein ligase Mdm2;</li> <li class='image_legend_li'>1 copy of 3-{(1S)-2-(tert-butylamino)-1-[(4-chlorobenzyl)(formyl)amino]-2-oxoethyl}-6-chloro-1H-indole-2-carboxylic acid;</li> <li class='image_legend_li'>1 copy of POTASSIUM ION;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

$Monomeric assembly 1 of PDB entry 3tj2 coloured by chemically distinct molecules, top view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>1 copy of E3 ubiquitin-protein ligase Mdm2;</li> <li class='image_legend_li'>1 copy of 3-{(1S)-2-(tert-butylamino)-1-[(4-chlorobenzyl)(formyl)amino]-2-oxoethyl}-6-chloro-1H-indole-2-carboxylic acid;</li> <li class='image_legend_li'>1 copy of POTASSIUM ION;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

Assembly 2

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Assembly Name: E3 ubiquitin-protein ligase Mdm2
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Multimeric state: monomeric

Accessible surface area: 5555.35 Å²

Buried surface area: 0.0 Å²

Dissociation area: 0 Å²

Dissociation energy (ΔG^diss): 0 kcal/mol

Dissociation entropy (TΔS^diss): 0 kcal/mol

Symmetry number: 1

PDBe Complex ID: PDB-CPX-169499

$Monomeric assembly 2 of PDB entry 3tj2 coloured by chemically distinct molecules, front view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>1 copy of E3 ubiquitin-protein ligase Mdm2;</li> <li class='image_legend_li'>1 copy of 3-{(1S)-2-(tert-butylamino)-1-[(4-chlorobenzyl)(formyl)amino]-2-oxoethyl}-6-chloro-1H-indole-2-carboxylic acid;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

$Monomeric assembly 2 of PDB entry 3tj2 coloured by chemically distinct molecules, side view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>1 copy of E3 ubiquitin-protein ligase Mdm2;</li> <li class='image_legend_li'>1 copy of 3-{(1S)-2-(tert-butylamino)-1-[(4-chlorobenzyl)(formyl)amino]-2-oxoethyl}-6-chloro-1H-indole-2-carboxylic acid;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

$Monomeric assembly 2 of PDB entry 3tj2 coloured by chemically distinct molecules, top view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>1 copy of E3 ubiquitin-protein ligase Mdm2;</li> <li class='image_legend_li'>1 copy of 3-{(1S)-2-(tert-butylamino)-1-[(4-chlorobenzyl)(formyl)amino]-2-oxoethyl}-6-chloro-1H-indole-2-carboxylic acid;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

Macromolecules

E3 ubiquitin-protein ligase Mdm2

Chains: A, C
Length: 95 amino acids
Theoretical weight: 11.14 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:

Canonical: Q00987 (Residues: 18-111; Coverage: 19%)

Gene name: MDM2
Pfam: SWIB/MDM2 domain
InterPro:

p53 negative regulator Mdm2/Mdm4
SWIB/MDM2 domain superfamily
SWIB/MDM2 domain

CATH: SWIB/MDM2 domain

E3 ubiquitin-protein ligase Mdm2 in PDB entry 3tj2, assembly 1, front view.

E3 ubiquitin-protein ligase Mdm2 in PDB entry 3tj2, assembly 1, side view.

E3 ubiquitin-protein ligase Mdm2 in PDB entry 3tj2, assembly 1, top view.

FASTA Sequence


    >pdb|3tj2|A C

MQIPASEQETLVRPKPLLLKLLKSVGAQKDTYTMKEVLFYLGQYIMTKRLYDEKQQHIVYCSNDLLGDLFGVPSFSVKEHRKIYTMIYRNLVVVN

PDBe-KB: UniProt Coverage View: Q00987

Molecule details ›

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FASTA (Protein chains A, C)
Archive mmCIF file
Updated mmCIF file
PDB file
PDB header
PDB file (gz)
PDBML
PDBML (ATOM lines)
PDBML (no atoms)
Structure Factors
SIFTS XML file with residue-level mappings

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Similar 3D structures (PDBeFold)
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BLAST Q00987 (UniProt)

Protein Data Bank in Europe

Structure of a novel submicromolar MDM2 inhibitor

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Assemblies

Assembly 1 (preferred)

Assembly 2

Macromolecules

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PDBe › 3tj2 › Structure analysis

Structure of a novel submicromolar MDM2 inhibitor

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Assemblies

Assembly 1 (preferred)

Assembly 2

Macromolecules

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3tj2 › Structure analysis