PDB 1uk0 biological assemblies and structure analysis ‹ Protein Data Bank in Europe (PDBe)

Assemblies

Assembly 1 (preferred)

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Assembly Name: Poly [ADP-ribose] polymerase 1, processed C-terminus
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Multimeric state: monomeric

Accessible surface area: 15939.05 Å²

Buried surface area: 851.79 Å²

Dissociation area: 425.89 Å²

Dissociation energy (ΔG^diss): -4.06 kcal/mol

Dissociation entropy (TΔS^diss): 4.88 kcal/mol

Symmetry number: 1

PDBe Complex ID: PDB-CPX-140785

$Monomeric assembly 1 of PDB entry 1uk0 coloured by chemically distinct molecules, front view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>1 copy of Poly [ADP-ribose] polymerase 1, processed C-terminus;</li> <li class='image_legend_li'>1 copy of 2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO-1(2H)-PYRIDINYL]PROPYL}-8-METHYL-4(3H)-QUINAZOLINONE;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

$Monomeric assembly 1 of PDB entry 1uk0 coloured by chemically distinct molecules, side view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>1 copy of Poly [ADP-ribose] polymerase 1, processed C-terminus;</li> <li class='image_legend_li'>1 copy of 2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO-1(2H)-PYRIDINYL]PROPYL}-8-METHYL-4(3H)-QUINAZOLINONE;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

$Monomeric assembly 1 of PDB entry 1uk0 coloured by chemically distinct molecules, top view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>1 copy of Poly [ADP-ribose] polymerase 1, processed C-terminus;</li> <li class='image_legend_li'>1 copy of 2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO-1(2H)-PYRIDINYL]PROPYL}-8-METHYL-4(3H)-QUINAZOLINONE;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

Assembly 2

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Assembly Name: Poly [ADP-ribose] polymerase 1, processed C-terminus
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Multimeric state: monomeric

Accessible surface area: 16078.15 Å²

Buried surface area: 875.24 Å²

Dissociation area: 437.62 Å²

Dissociation energy (ΔG^diss): -4.44 kcal/mol

Dissociation entropy (TΔS^diss): 4.95 kcal/mol

Symmetry number: 1

PDBe Complex ID: PDB-CPX-140785

$Monomeric assembly 2 of PDB entry 1uk0 coloured by chemically distinct molecules, front view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>1 copy of Poly [ADP-ribose] polymerase 1, processed C-terminus;</li> <li class='image_legend_li'>1 copy of 2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO-1(2H)-PYRIDINYL]PROPYL}-8-METHYL-4(3H)-QUINAZOLINONE;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

$Monomeric assembly 2 of PDB entry 1uk0 coloured by chemically distinct molecules, side view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>1 copy of Poly [ADP-ribose] polymerase 1, processed C-terminus;</li> <li class='image_legend_li'>1 copy of 2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO-1(2H)-PYRIDINYL]PROPYL}-8-METHYL-4(3H)-QUINAZOLINONE;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

$Monomeric assembly 2 of PDB entry 1uk0 coloured by chemically distinct molecules, top view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>1 copy of Poly [ADP-ribose] polymerase 1, processed C-terminus;</li> <li class='image_legend_li'>1 copy of 2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO-1(2H)-PYRIDINYL]PROPYL}-8-METHYL-4(3H)-QUINAZOLINONE;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

Macromolecules

Poly [ADP-ribose] polymerase 1, processed C-terminus

Chains: A, B
Length: 350 amino acids
Theoretical weight: 39.2 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:

Canonical: P09874 (Residues: 662-1011; Coverage: 35%)

Gene names: ADPRT, PARP1, PPOL
Pfam:

Poly(ADP-ribose) polymerase, regulatory domain
Poly(ADP-ribose) polymerase catalytic domain

InterPro:

Poly(ADP-ribose) polymerase, regulatory domain
Poly(ADP-ribose) polymerase, regulatory domain superfamily
Poly(ADP-ribose) polymerase, catalytic domain

CATH:

Poly(ADP-ribose) polymerase, regulatory domain
Phosphoenolpyruvate Carboxykinase; domain 3

SCOP:

Domain of poly(ADP-ribose) polymerase
Poly(ADP-ribose) polymerase, C-terminal domain

Poly [ADP-ribose] polymerase 1, processed C-terminus in PDB entry 1uk0, assembly 1, front view.

Poly [ADP-ribose] polymerase 1, processed C-terminus in PDB entry 1uk0, assembly 1, side view.

Poly [ADP-ribose] polymerase 1, processed C-terminus in PDB entry 1uk0, assembly 1, top view.

FASTA Sequence


    >pdb|1uk0|A B

KSKLPKPVQDLIKMIFDVESMKKAMVEYEIDLQKMPLGKLSKRQIQAAYSILSEVQQAVSQGSSDSQILDLSNRFYTLIPHDFGMKKPPLLNNADSVQAKVEMLDNLLDIEVAYSLLRGGSDDSSKDPIDVNYEKLKTDIKVVDRDSEEAEIIRKYVKNTHATTHNAYDLEVIDIFKIEREGECQRYKPFKQLHNRRLLWHGSRTTNFAGILSQGLRIAPPEAPVTGYMFGKGIYFADMVSKSANYCHTSQGDPIGLILLGEVALGNMYELKHASHISKLPKGKHSVKGLGKTTPDPSANISLDGVDVPLGTGISSGVNDTSLLYNEYIVYDIAQVNLKYLLKLKFNFKT

PDBe-KB: UniProt Coverage View: P09874

Molecule details ›

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Structure Factors
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BLAST P09874 (UniProt)

Protein Data Bank in Europe

Crystal structure of catalytic domain of human poly(ADP-ribose) polymerase with a novel inhibitor

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Assemblies

Assembly 1 (preferred)

Assembly 2

Macromolecules

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PDBe › 1uk0 › Structure analysis

Crystal structure of catalytic domain of human poly(ADP-ribose) polymerase with a novel inhibitor

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Assemblies

Assembly 1 (preferred)

Assembly 2

Macromolecules

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1uk0 › Structure analysis