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sc-PDB

An Annotated Database of Druggable Binding Sites from the Protein DataBank

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Distribution of Interaction pattern similarity measured by Grim
You can zoom onto the graph by using the mouse to make a selection

Binding Modes are compared using Grim.
For more information, please see the following publication: Desaphy J. et al. Encoding Protein-Ligand Interaction Patterns in Fingerprints and Graphs J. Chem. Inf. Model., 2013, 53 (3), pp 623-637
Binding modes are considered as similar when the similarity value is greater than 0.65


Reference Protein Data Bank Entry :
PDB ID HET Uniprot Name EC Number
2rio ADP Serine/threonine-protein kinase/endoribonuclease IRE1 2.7.11.1

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
2rio ADPSerine/threonine-protein kinase/endoribonuclease IRE1 2.7.11.1 0.954
4dee ADPAurora kinase A 2.7.11.1 0.796
4nm7 ADPGlycogen synthase kinase-3 beta 2.7.11.26 0.794
5dos ATPAurora kinase A 2.7.11.1 0.794
4krc AGSCyclin-dependent protein kinase PHO85 2.7.11.22 0.793
4ceg ADPAurora kinase A 2.7.11.1 0.783
4i3z ADPCyclin-dependent kinase 2 2.7.11.22 0.775
4oav ACP2-5A-dependent ribonuclease 3.1.26 0.771
5awm ANPStress-activated protein kinase JNK 2.7.11.24 0.767
4dn5 AGSMitogen-activated protein kinase kinase kinase 14 2.7.11.25 0.763
2b9f ADPMitogen-activated protein kinase FUS3 2.7.11.24 0.762
3c4z ADPRhodopsin kinase / 0.757
4xw6 ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.757
5drd ATPAurora kinase A 2.7.11.1 0.754
1mq4 ADPAurora kinase A 2.7.11.1 0.753
4fi1 ATPCasein kinase II subunit alpha 2.7.11.1 0.752
4mwh ATPCasein kinase II subunit alpha 2.7.11.1 0.752
5dt4 ATPAurora kinase A 2.7.11.1 0.750
1l8t ADPAminoglycoside 3'-phosphotransferase 2.7.1.95 0.749
5dnr ATPAurora kinase A 2.7.11.1 0.749
4k33 ACPFibroblast growth factor receptor 3 2.7.10.1 0.748
3c50 ADPRhodopsin kinase / 0.747
4r8q ADPMitotic checkpoint serine/threonine-protein kinase BUB1 2.7.11.1 0.746
1j7l ADPAminoglycoside 3'-phosphotransferase 2.7.1.95 0.744
3t8o ATPRhodopsin kinase / 0.744
1qmz ATPCyclin-dependent kinase 2 2.7.11.22 0.742
2b9j ADPMitogen-activated protein kinase FUS3 2.7.11.24 0.739
1o6k ANPRAC-beta serine/threonine-protein kinase 2.7.11.1 0.737
5dt3 ATPAurora kinase A 2.7.11.1 0.737
4ii5 ADPCyclin-dependent kinase 2 2.7.11.22 0.736
2b9i ADPMitogen-activated protein kinase FUS3 2.7.11.24 0.735
2w4k ADPDeath-associated protein kinase 1 2.7.11.1 0.733
1zar ADPRIO-type serine/threonine-protein kinase Rio2 2.7.11.1 0.732
4qpm ADPMitotic checkpoint serine/threonine-protein kinase BUB1 2.7.11.1 0.731
1q8y ADPSerine/threonine-protein kinase SKY1 2.7.11.1 0.730
4iad ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.729
2dwb ANPAurora kinase A 2.7.11.1 0.727
5dn3 ATPAurora kinase A 2.7.11.1 0.727
1lp4 ANPCasein kinase II subunit alpha 2.7.11.1 0.726
2pz5 ACPFibroblast growth factor receptor 2 / 0.724
3qc9 ADPRhodopsin kinase / 0.724
4aw1 ATP3-phosphoinositide-dependent protein kinase 1 2.7.11.1 0.723
4oau ADP2-5A-dependent ribonuclease 3.1.26 0.723
1j1c ADPGlycogen synthase kinase-3 beta 2.7.11.26 0.720
4xlv ACPInsulin receptor 2.7.10.1 0.719
5dr2 ATPAurora kinase A 2.7.11.1 0.719
2pyw ADPMethylthioribose kinase 2.7.1.100 0.718
3akk ADPSerine/threonine-protein kinase CtkA 2.7.11.1 0.718
4f99 ADPCell division cycle 7-related protein kinase 2.7.11.1 0.718
4f9a ADPCell division cycle 7-related protein kinase 2.7.11.1 0.717
5e92 ANPTGF-beta receptor type-2 2.7.11.30 0.717
1j7u ANPAminoglycoside 3'-phosphotransferase 2.7.1.95 0.716
4oa9 ANPProtein BRASSINOSTEROID INSENSITIVE 1 2.7.10.1 0.716
4qny ANPMitogen activated protein kinase, putative / 0.715
3tm0 ANPAminoglycoside 3'-phosphotransferase 2.7.1.95 0.713
4ysj ADPCalmodulin-like domain protein kinase / 0.711
3x2w ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.710
4bn1 ADPAurora kinase A 2.7.11.1 0.709
4xw5 ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.709
1phk ATPPhosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform 2.7.11.19 0.707
1jkk ANPDeath-associated protein kinase 1 2.7.11.1 0.706
3niz ADPCdc2-like CDK2/CDC28 like protein kinase / 0.706
4iai ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.706
4iaf ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.704
4iak ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.703
4nif ANPMitogen-activated protein kinase 1 2.7.11.24 0.703
2y9q ANPMitogen-activated protein kinase 1 2.7.11.24 0.702
4btj ADPTau-tubulin kinase 1 2.7.11.1 0.701
2w4j ADPDeath-associated protein kinase 1 2.7.11.1 0.700
4gvj ADPNon-receptor tyrosine-protein kinase TYK2 2.7.10.2 0.700
4iay ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.699
1jkl ANPDeath-associated protein kinase 1 2.7.11.1 0.697
3o7l ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.697
4nm5 ADPGlycogen synthase kinase-3 beta 2.7.11.26 0.697
1t36 ADPCarbamoyl-phosphate synthase large chain / 0.696
1pyx ANPGlycogen synthase kinase-3 beta 2.7.11.26 0.694
3x2v ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.694
2qcs ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.693
3x2u ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.693
2pui ADPMethylthioribose kinase 2.7.1.100 0.692
3bu5 ATPInsulin receptor 2.7.10.1 0.692
3akl ADPSerine/threonine-protein kinase CtkA 2.7.11.1 0.691
4axf ANPInositol-pentakisphosphate 2-kinase 2.7.1.158 0.690
4o1p ANPRibonuclease L / 0.690
1o6y ACPSerine/threonine-protein kinase PknB 2.7.11.1 0.688
3fjq ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.688
3gu4 ANPDeath-associated protein kinase 1 2.7.11.1 0.686
4ffr ATPUncharacterized protein / 0.686
2zdg ADPD-alanine--D-alanine ligase / 0.685
3k5h ATPPhosphoribosyl-aminoimidazole carboxylase / 0.685
1cdk ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.684
4aqk ADPInositol-pentakisphosphate 2-kinase 2.7.1.158 0.684
5eg3 ACPFibroblast growth factor receptor 2 / 0.684
3gu5 ANPDeath-associated protein kinase 1 2.7.11.1 0.682
4h3q ANPMitogen-activated protein kinase 1 2.7.11.24 0.681
1j1b ANPGlycogen synthase kinase-3 beta 2.7.11.26 0.680
5ce3 ADPProtein kinase YopO / 0.680
1ol6 ATPAurora kinase A 2.7.11.1 0.679
4y0x ADPSerine/threonine-protein kinase PknG 2.7.11.1 0.679
1ig1 ANPDeath-associated protein kinase 1 2.7.11.1 0.677
3c4x ATPRhodopsin kinase / 0.677
3gu6 ADPDeath-associated protein kinase 1 2.7.11.1 0.677
4iaz ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.677
4ej7 ATPAminoglycoside 3'-phosphotransferase AphA1-IAB / 0.676
5dmz ADPMitotic checkpoint serine/threonine-protein kinase BUB1 2.7.11.1 0.676
4ix5 ANPUncharacterized protein / 0.675
4uak ADPSerine/threonine-protein kinase MRCK beta 2.7.11.1 0.674
5cvf ATPCasein kinase II subunit alpha 2.7.11.1 0.674
2b0q ADPAminoglycoside 3'-phosphotransferase 2.7.1.95 0.673
2xuu ADPDeath-associated protein kinase 1 2.7.11.1 0.672
4axd ANPInositol-pentakisphosphate 2-kinase 2.7.1.158 0.672
4lv7 ADPInositol-pentakisphosphate 2-kinase 2.7.1.158 0.672
5l8l ADPAurora kinase A 2.7.11.1 0.672
1daw ANPCasein kinase II subunit alpha 2.7.11.1 0.671
4wb6 ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.671
3gu7 ADPDeath-associated protein kinase 1 2.7.11.1 0.670
4ic7 ANPMitogen-activated protein kinase 7 2.7.11.24 0.670
3eth ATPN5-carboxyaminoimidazole ribonucleotide synthase / 0.669
3nsz ANPCasein kinase II subunit alpha 2.7.11.1 0.669
4dh7 ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.669
4o4e ATPKinase / 0.669
4xw4 ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.669
1u5r ATPSerine/threonine-protein kinase TAO2 2.7.11.1 0.668
4c5b ADPD-alanine--D-alanine ligase B 6.3.2.4 0.668
3oro AGSSerine/threonine protein kinase / 0.667
4wbb ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.666
3c4w ATPRhodopsin kinase / 0.665
3mia ANPCyclin-dependent kinase 9 2.7.11.22 0.665
1pkg ADPMast/stem cell growth factor receptor Kit 2.7.10.1 0.664
2pzp ACPFibroblast growth factor receptor 2 / 0.664
4hpt ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.664
1jnk ANPMitogen-activated protein kinase 10 2.7.11.24 0.661
2phk ATPPhosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform 2.7.11.19 0.661
3vpc ADPGlutamate--LysW ligase ArgX 6.3.2 0.661
4c5c ATPD-alanine--D-alanine ligase B 6.3.2.4 0.661
4fmq ANPMitogen-activated protein kinase 1 2.7.11.24 0.660
3idc ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.659
3llt ANPProtein serine/threonine kinase-1 / 0.659
1cm8 ANPMitogen-activated protein kinase 12 / 0.658
1w2d ADPInositol-trisphosphate 3-kinase A 2.7.1.127 0.658
1m0w ANPGlutathione synthetase 6.3.2.3 0.657
1q97 ATPSerine/threonine-protein kinase SKY1 2.7.11.1 0.657
3udz ADPInositol-pentakisphosphate 2-kinase 2.7.1.158 0.657
4fl1 ANPTyrosine-protein kinase SYK 2.7.10.2 0.657
4y12 AGSSerine/threonine-protein kinase PknG 2.7.11.1 0.657
2py3 ACPFibroblast growth factor receptor 2 / 0.656
3dfc ANPDeath-associated protein kinase 1 2.7.11.1 0.656
3pff ADPATP-citrate synthase 2.3.3.8 0.656
4btj ATPTau-tubulin kinase 1 2.7.11.1 0.656
4lv8 ADPRhoptry protein 5 C / 0.656
4o4d ATPKinase / 0.656
1ol5 ADPAurora kinase A 2.7.11.1 0.655
4gyi ADPUncharacterized protein / 0.655
2w5b AGSSerine/threonine-protein kinase Nek2 2.7.11.1 0.654
3t9d ANPInositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2 / 0.654
1csn ATPCasein kinase I homolog 1 2.7.11.1 0.652
3idb ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.652
4nm0 ADPGlycogen synthase kinase-3 beta 2.7.11.26 0.652
4eoo ATPCyclin-dependent kinase 2 2.7.11.22 0.651
1xr1 ANPSerine/threonine-protein kinase pim-1 2.7.11.1 0.650
3a8w ATPProtein kinase C iota type 2.7.11.13 0.650
4ork GDPBifunctional AAC/APH 2.3.1 0.650