PDB 3ik3 biological assemblies and structure analysis ‹ Protein Data Bank in Europe (PDBe)

Assemblies

Assembly 1 (preferred)

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Assembly Name: Tyrosine-protein kinase ABL1
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Multimeric state: monomeric

Accessible surface area: 14468.29 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-132624

$Monomeric assembly 1 of PDB entry 3ik3 coloured by chemically distinct molecules, front view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>1 copy of Tyrosine-protein kinase ABL1;</li> <li class='image_legend_li'>1 copy of 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

$Monomeric assembly 1 of PDB entry 3ik3 coloured by chemically distinct molecules, side view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>1 copy of Tyrosine-protein kinase ABL1;</li> <li class='image_legend_li'>1 copy of 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

$Monomeric assembly 1 of PDB entry 3ik3 coloured by chemically distinct molecules, top view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>1 copy of Tyrosine-protein kinase ABL1;</li> <li class='image_legend_li'>1 copy of 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

Assembly 2

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Assembly Name: Tyrosine-protein kinase ABL1
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Multimeric state: monomeric

Accessible surface area: 14755.05 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-132624

$Monomeric assembly 2 of PDB entry 3ik3 coloured by chemically distinct molecules, front view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>1 copy of Tyrosine-protein kinase ABL1;</li> <li class='image_legend_li'>1 copy of 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

$Monomeric assembly 2 of PDB entry 3ik3 coloured by chemically distinct molecules, side view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>1 copy of Tyrosine-protein kinase ABL1;</li> <li class='image_legend_li'>1 copy of 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

$Monomeric assembly 2 of PDB entry 3ik3 coloured by chemically distinct molecules, top view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>1 copy of Tyrosine-protein kinase ABL1;</li> <li class='image_legend_li'>1 copy of 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

Macromolecules

Tyrosine-protein kinase ABL1

Chains: A, B
Length: 288 amino acids
Theoretical weight: 33.25 KDa
Source organism: Mus musculus
Expression system: Escherichia coli BL21(DE3)
UniProt:

Canonical: P00520 (Residues: 229-513; Coverage: 25%)

Gene names: Abl, Abl1
Pfam: Protein tyrosine and serine/threonine kinase
InterPro:

Protein kinase-like domain superfamily
Protein kinase domain
Serine-threonine/tyrosine-protein kinase, catalytic domain
Tyrosine-protein kinase, catalytic domain
Protein kinase, ATP binding site
Tyrosine-protein kinase, active site

CATH:

Phosphorylase Kinase; domain 1
Transferase(Phosphotransferase) domain 1

Tyrosine-protein kinase ABL1 in PDB entry 3ik3, assembly 1, front view.

Tyrosine-protein kinase ABL1 in PDB entry 3ik3, assembly 1, side view.

Tyrosine-protein kinase ABL1 in PDB entry 3ik3, assembly 1, top view.

FASTA Sequence


    >pdb|3ik3|A B

GSPNYDKWEMERTDITMKHKLGGGQYGEVYEGVWKKYSLTVAVKTLKEDTMEVEEFLKEAAVMKEIKHPNLVQLLGVCTREPPFYIIIEFMTYGNLLDYLRECNRQEVSAVVLLYMATQISSAMEYLEKKNFIHRDLAARNCLVGENHLVKVADFGLSRLMTGDTYTAHAGAKFPIKWTAPESLAYNKFSIKSDVWAFGVLLWEIATYGMSPYPGIDLSQVYELLEKDYRMERPEGCPEKVYELMRACWQWNPSDRPSFAEIHQAFETMFQESSISDEVEKELGKRGT

PDBe-KB: UniProt Coverage View: P00520

Molecule details ›

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FASTA (Protein chains A, B)
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Updated mmCIF file
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PDBML
PDBML (ATOM lines)
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Structure Factors
SIFTS XML file with residue-level mappings

Search similar proteins

Similar 3D structures (PDBeFold)
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BLAST P00520 (UniProt)

Protein Data Bank in Europe

AP24534, a Pan-BCR-ABL Inhibitor for Chronic Myeloid Leukemia, Potently Inhibits the T315I Mutant and Overcomes Mutation-Based Resistance

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Assemblies

Assembly 1 (preferred)

Assembly 2

Macromolecules

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PDBe › 3ik3 › Structure analysis

AP24534, a Pan-BCR-ABL Inhibitor for Chronic Myeloid Leukemia, Potently Inhibits the T315I Mutant and Overcomes Mutation-Based Resistance

Quick links

Assemblies

Assembly 1 (preferred)

Assembly 2

Macromolecules

Search similar proteins

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3ik3 › Structure analysis