PDB 2hiw 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: 13972.71 Å²

Buried surface area: 979.97 Å²

Dissociation area: 489.98 Å²

Dissociation energy (ΔG^diss): 0.76 kcal/mol

Dissociation entropy (TΔS^diss): 5.36 kcal/mol

Symmetry number: 1

PDBe Complex ID: PDB-CPX-132602

$Monomeric assembly 1 of PDB entry 2hiw coloured by chemically distinct molecules, front view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>1 copy of Tyrosine-protein kinase ABL1;</li> <li class='image_legend_li'>1 copy of 7-AMINO-1-METHYL-3-(2-METHYL-5-{[3-(TRIFLUOROMETHYL)BENZOYL]AMINO}PHENYL)-2-OXO-2,3-DIHYDROPYRIMIDO[4,5-D]PYRIMIDIN-1-IUM;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

$Monomeric assembly 1 of PDB entry 2hiw coloured by chemically distinct molecules, side view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>1 copy of Tyrosine-protein kinase ABL1;</li> <li class='image_legend_li'>1 copy of 7-AMINO-1-METHYL-3-(2-METHYL-5-{[3-(TRIFLUOROMETHYL)BENZOYL]AMINO}PHENYL)-2-OXO-2,3-DIHYDROPYRIMIDO[4,5-D]PYRIMIDIN-1-IUM;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

$Monomeric assembly 1 of PDB entry 2hiw coloured by chemically distinct molecules, top view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>1 copy of Tyrosine-protein kinase ABL1;</li> <li class='image_legend_li'>1 copy of 7-AMINO-1-METHYL-3-(2-METHYL-5-{[3-(TRIFLUOROMETHYL)BENZOYL]AMINO}PHENYL)-2-OXO-2,3-DIHYDROPYRIMIDO[4,5-D]PYRIMIDIN-1-IUM;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

Assembly 2

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

Accessible surface area: 13925.29 Å²

Buried surface area: 972.51 Å²

Dissociation area: 486.25 Å²

Dissociation energy (ΔG^diss): 0.43 kcal/mol

Dissociation entropy (TΔS^diss): 5.36 kcal/mol

Symmetry number: 1

PDBe Complex ID: PDB-CPX-132602

$Monomeric assembly 2 of PDB entry 2hiw coloured by chemically distinct molecules, front view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>1 copy of Tyrosine-protein kinase ABL1;</li> <li class='image_legend_li'>1 copy of 7-AMINO-1-METHYL-3-(2-METHYL-5-{[3-(TRIFLUOROMETHYL)BENZOYL]AMINO}PHENYL)-2-OXO-2,3-DIHYDROPYRIMIDO[4,5-D]PYRIMIDIN-1-IUM;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

$Monomeric assembly 2 of PDB entry 2hiw coloured by chemically distinct molecules, side view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>1 copy of Tyrosine-protein kinase ABL1;</li> <li class='image_legend_li'>1 copy of 7-AMINO-1-METHYL-3-(2-METHYL-5-{[3-(TRIFLUOROMETHYL)BENZOYL]AMINO}PHENYL)-2-OXO-2,3-DIHYDROPYRIMIDO[4,5-D]PYRIMIDIN-1-IUM;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

$Monomeric assembly 2 of PDB entry 2hiw coloured by chemically distinct molecules, top view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>1 copy of Tyrosine-protein kinase ABL1;</li> <li class='image_legend_li'>1 copy of 7-AMINO-1-METHYL-3-(2-METHYL-5-{[3-(TRIFLUOROMETHYL)BENZOYL]AMINO}PHENYL)-2-OXO-2,3-DIHYDROPYRIMIDO[4,5-D]PYRIMIDIN-1-IUM;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

Macromolecules

Tyrosine-protein kinase ABL1

Chains: A, B
Length: 287 amino acids
Theoretical weight: 33.18 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:

Canonical: P00519 (Residues: 230-512; Coverage: 25%)

Gene names: ABL, ABL1, JTK7
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 2hiw, assembly 1, front view.

Tyrosine-protein kinase ABL1 in PDB entry 2hiw, assembly 1, side view.

Tyrosine-protein kinase ABL1 in PDB entry 2hiw, assembly 1, top view.

FASTA Sequence


    >pdb|2hiw|A B

GAMDPNYDKWEMERTDITMKHKLGGGQYGEVYEGVWKKYSLTVAVKTLKEDTMEVEEFLKEAAVMKEIKHPNLVQLLGVCTREPPFYIITEFMTYGNLLDYLRECNRQEVNAVVLLYMATQISSAMEYLEKKNFIHRDLAARNCLVGENHLVKVADFGLSRLMTGDTYTAHAGAKFPIKWTAPESLAYNKFSIKSDVWAFGVLLWEIATYGMSPYPGIDLSQVYELLEKDYRMERPEGCPEKVYELMRACWQWNPSDRPSFAEIHQAFETMFQESSISDEVEKELGK

PDBe-KB: UniProt Coverage View: P00519

Molecule details ›

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FASTA (Protein chains A, B)
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SIFTS XML file with residue-level mappings

Search similar proteins

Similar 3D structures (PDBeFold)
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BLAST P00519 (UniProt)

Protein Data Bank in Europe

Crystal Structure of Inactive Conformation Abl Kinase Catalytic Domain Complexed with Type II Inhibitor

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Assemblies

Assembly 1 (preferred)

Assembly 2

Macromolecules

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PDBe › 2hiw › Structure analysis

Crystal Structure of Inactive Conformation Abl Kinase Catalytic Domain Complexed with Type II Inhibitor

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Assemblies

Assembly 1 (preferred)

Assembly 2

Macromolecules

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2hiw › Structure analysis