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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
5dos ATP Aurora kinase A 2.7.11.1

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
5dos ATPAurora kinase A 2.7.11.1 0.963
5dt4 ATPAurora kinase A 2.7.11.1 0.880
5dr2 ATPAurora kinase A 2.7.11.1 0.863
4dee ADPAurora kinase A 2.7.11.1 0.853
5dt3 ATPAurora kinase A 2.7.11.1 0.845
5drd ATPAurora kinase A 2.7.11.1 0.843
5dnr ATPAurora kinase A 2.7.11.1 0.835
5dn3 ATPAurora kinase A 2.7.11.1 0.822
3c4z ADPRhodopsin kinase / 0.815
1qmz ATPCyclin-dependent kinase 2 2.7.11.22 0.796
2w4k ADPDeath-associated protein kinase 1 2.7.11.1 0.796
2rio ADPSerine/threonine-protein kinase/endoribonuclease IRE1 2.7.11.1 0.794
4nm7 ADPGlycogen synthase kinase-3 beta 2.7.11.26 0.793
1mq4 ADPAurora kinase A 2.7.11.1 0.792
2xuu ADPDeath-associated protein kinase 1 2.7.11.1 0.791
3c50 ADPRhodopsin kinase / 0.790
4ceg ADPAurora kinase A 2.7.11.1 0.790
4krc AGSCyclin-dependent protein kinase PHO85 2.7.11.22 0.790
2w4j ADPDeath-associated protein kinase 1 2.7.11.1 0.787
4qpm ADPMitotic checkpoint serine/threonine-protein kinase BUB1 2.7.11.1 0.785
4i3z ADPCyclin-dependent kinase 2 2.7.11.22 0.784
1j1c ADPGlycogen synthase kinase-3 beta 2.7.11.26 0.783
3qc9 ADPRhodopsin kinase / 0.778
4r8q ADPMitotic checkpoint serine/threonine-protein kinase BUB1 2.7.11.1 0.776
2pui ADPMethylthioribose kinase 2.7.1.100 0.775
2dwb ANPAurora kinase A 2.7.11.1 0.774
4nm5 ADPGlycogen synthase kinase-3 beta 2.7.11.26 0.774
2pup ADPMethylthioribose kinase 2.7.1.100 0.771
4ii5 ADPCyclin-dependent kinase 2 2.7.11.22 0.770
4fi1 ATPCasein kinase II subunit alpha 2.7.11.1 0.766
4mwh ATPCasein kinase II subunit alpha 2.7.11.1 0.766
3gu7 ADPDeath-associated protein kinase 1 2.7.11.1 0.765
3t8o ATPRhodopsin kinase / 0.765
4qny ANPMitogen activated protein kinase, putative / 0.764
2b9j ADPMitogen-activated protein kinase FUS3 2.7.11.24 0.760
1ig1 ANPDeath-associated protein kinase 1 2.7.11.1 0.759
4oa9 ANPProtein BRASSINOSTEROID INSENSITIVE 1 2.7.10.1 0.758
4k33 ACPFibroblast growth factor receptor 3 2.7.10.1 0.756
3niz ADPCdc2-like CDK2/CDC28 like protein kinase / 0.755
4xw6 ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.754
5e92 ANPTGF-beta receptor type-2 2.7.11.30 0.752
3bu5 ATPInsulin receptor 2.7.10.1 0.751
4iai ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.751
3dfc ANPDeath-associated protein kinase 1 2.7.11.1 0.750
4aw1 ATP3-phosphoinositide-dependent protein kinase 1 2.7.11.1 0.750
4dn5 AGSMitogen-activated protein kinase kinase kinase 14 2.7.11.25 0.749
4wb6 ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.749
4bn1 ADPAurora kinase A 2.7.11.1 0.748
5awm ANPStress-activated protein kinase JNK 2.7.11.24 0.748
4oau ADP2-5A-dependent ribonuclease 3.1.26 0.745
1jkk ANPDeath-associated protein kinase 1 2.7.11.1 0.744
1q8y ADPSerine/threonine-protein kinase SKY1 2.7.11.1 0.743
3gu6 ADPDeath-associated protein kinase 1 2.7.11.1 0.742
3akk ADPSerine/threonine-protein kinase CtkA 2.7.11.1 0.741
4f9a ADPCell division cycle 7-related protein kinase 2.7.11.1 0.741
1zar ADPRIO-type serine/threonine-protein kinase Rio2 2.7.11.1 0.737
2b0q ADPAminoglycoside 3'-phosphotransferase 2.7.1.95 0.737
2olc ADPMethylthioribose kinase 2.7.1.100 0.737
3x2w ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.736
1jkl ANPDeath-associated protein kinase 1 2.7.11.1 0.735
3f5u ANPDeath-associated protein kinase 1 2.7.11.1 0.735
4xlv ACPInsulin receptor 2.7.10.1 0.735
4oav ACP2-5A-dependent ribonuclease 3.1.26 0.734
3gu5 ANPDeath-associated protein kinase 1 2.7.11.1 0.733
4iad ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.733
2b9i ADPMitogen-activated protein kinase FUS3 2.7.11.24 0.732
2pyw ADPMethylthioribose kinase 2.7.1.100 0.732
3x2u ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.732
1o6k ANPRAC-beta serine/threonine-protein kinase 2.7.11.1 0.730
1o6y ACPSerine/threonine-protein kinase PknB 2.7.11.1 0.728
1ol6 ATPAurora kinase A 2.7.11.1 0.727
4f99 ADPCell division cycle 7-related protein kinase 2.7.11.1 0.727
4ic7 ANPMitogen-activated protein kinase 7 2.7.11.24 0.727
2b9f ADPMitogen-activated protein kinase FUS3 2.7.11.24 0.726
4uak ADPSerine/threonine-protein kinase MRCK beta 2.7.11.1 0.726
4wbb ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.726
4gvj ADPNon-receptor tyrosine-protein kinase TYK2 2.7.10.2 0.723
4utd ACPAurora kinase A 2.7.11.1 0.723
3g51 ANPRibosomal protein S6 kinase alpha-3 2.7.11.1 0.719
4iaz ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.718
3dnt ATPSerine/threonine-protein kinase toxin HipA / 0.717
4nif ANPMitogen-activated protein kinase 1 2.7.11.24 0.717
4yhj AN2G protein-coupled receptor kinase 4 2.7.11.16 0.716
4otp ADPSerine/threonine-protein kinase RIO1 2.7.11.1 0.714
4fl1 ANPTyrosine-protein kinase SYK 2.7.10.2 0.713
2pz5 ACPFibroblast growth factor receptor 2 / 0.712
4o1p ANPRibonuclease L / 0.710
1lp4 ANPCasein kinase II subunit alpha 2.7.11.1 0.708
1phk ATPPhosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform 2.7.11.19 0.708
1ol5 ADPAurora kinase A 2.7.11.1 0.706
1tqp ATPRIO-type serine/threonine-protein kinase Rio2 2.7.11.1 0.706
1pyx ANPGlycogen synthase kinase-3 beta 2.7.11.26 0.705
1j7l ADPAminoglycoside 3'-phosphotransferase 2.7.1.95 0.704
1pkg ADPMast/stem cell growth factor receptor Kit 2.7.10.1 0.704
1tqm ANPRIO-type serine/threonine-protein kinase Rio2 2.7.11.1 0.704
1ol7 ADPAurora kinase A 2.7.11.1 0.703
3x2v ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.703
4iaf ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.703
4ysj ADPCalmodulin-like domain protein kinase / 0.703
5eg3 ACPFibroblast growth factor receptor 2 / 0.703
3fjq ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.702
1cm8 ANPMitogen-activated protein kinase 12 / 0.701
1zth ADPRIO-type serine/threonine-protein kinase Rio1 2.7.11.1 0.701
5ce3 ADPProtein kinase YopO / 0.701
3c4x ATPRhodopsin kinase / 0.700
1j1b ANPGlycogen synthase kinase-3 beta 2.7.11.26 0.698
2yaa ATPDeath-associated protein kinase 2 / 0.696
4dh5 ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.696
3c4w ATPRhodopsin kinase / 0.695
1jbp ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.693
4dg3 ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.693
3w8q AGSDual specificity mitogen-activated protein kinase kinase 1 2.7.12.2 0.692
2zdg ADPD-alanine--D-alanine ligase / 0.691
3a7j ADPSerine/threonine-protein kinase 24 2.7.11.1 0.691
4h3q ANPMitogen-activated protein kinase 1 2.7.11.24 0.689
2qo7 ANPEphrin type-A receptor 3 2.7.10.1 0.688
5dmz ADPMitotic checkpoint serine/threonine-protein kinase BUB1 2.7.11.1 0.688
2a19 ANPInterferon-induced, double-stranded RNA-activated protein kinase 2.7.11.1 0.687
2pul ACPMethylthioribose kinase 2.7.1.100 0.687
1cdk ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.686
2qcs ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.686
4iak ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.685
5cvh ADPCasein kinase II subunit alpha 2.7.11.1 0.685
5cvf ATPCasein kinase II subunit alpha 2.7.11.1 0.684
2cci ATPCyclin-dependent kinase 2 2.7.11.22 0.683
4btj ADPTau-tubulin kinase 1 2.7.11.1 0.683
4nm0 ADPGlycogen synthase kinase-3 beta 2.7.11.26 0.683
4ork GDPBifunctional AAC/APH 2.3.1 0.683
1xr1 ANPSerine/threonine-protein kinase pim-1 2.7.11.1 0.682
3k5h ATPPhosphoribosyl-aminoimidazole carboxylase / 0.682
2pun ACPMethylthioribose kinase 2.7.1.100 0.681
2pzp ACPFibroblast growth factor receptor 2 / 0.681
2xan ANPInositol-pentakisphosphate 2-kinase 2.7.1.158 0.681
3idb ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.680
3udz ADPInositol-pentakisphosphate 2-kinase 2.7.1.158 0.680
2hen ADPEphrin type-B receptor 2 2.7.10.1 0.678
5iqh GNPBifunctional AAC/APH 2.3.1 0.678
1l8t ADPAminoglycoside 3'-phosphotransferase 2.7.1.95 0.676
1zp9 ATPRIO-type serine/threonine-protein kinase Rio1 2.7.11.1 0.676
4ekk ANPRAC-alpha serine/threonine-protein kinase 2.7.11.1 0.676
4ix5 ANPUncharacterized protein / 0.676
3ori AGSSerine/threonine protein kinase / 0.675
5ckw ANPUncharacterized protein / 0.675
3tdw GDPGentamicin resistance protein / 0.674
4iac ACPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.674
1j7u ANPAminoglycoside 3'-phosphotransferase 2.7.1.95 0.673
1u54 ACPActivated CDC42 kinase 1 / 0.673
3orm AGSSerine/threonine protein kinase / 0.673
3pff ADPATP-citrate synthase 2.3.3.8 0.673
4bfm ANPMaternal embryonic leucine zipper kinase 2.7.11.1 0.673
4iir ANPSerine/threonine-protein kinase PRP4 homolog 2.7.11.1 0.673
4wh2 ADPN-acetylhexosamine 1-kinase 2.7.1.162 0.673
2bkk ADPAminoglycoside 3'-phosphotransferase 2.7.1.95 0.672
4eom ATPCyclin-dependent kinase 2 2.7.11.22 0.672
4ocp ADPN-acetylhexosamine 1-kinase 2.7.1.162 0.672
5iqe GNPBifunctional AAC/APH 2.3.1 0.672
4hpt ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.671
4x6r ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.671
1zao ATPRIO-type serine/threonine-protein kinase Rio2 2.7.11.1 0.670
2qoq ANPEphrin type-A receptor 3 2.7.10.1 0.670
3cly ACPFibroblast growth factor receptor 2 / 0.670
3hko ANPCalcium/calmodulin-dependent protein kinase with a kinase domain and 2 calmodulin-like EF hands / 0.670
4o0u ADNAurora kinase A 2.7.11.1 0.670
2vqd AP2Biotin carboxylase 6.3.4.14 0.669
3t99 ADPInositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2 / 0.669
3idc ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.668
3q5i ANPProtein kinase, putative / 0.668
2ijm ADPFocal adhesion kinase 1 2.7.10.2 0.667
4dh7 ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.667
1u5r ATPSerine/threonine-protein kinase TAO2 2.7.11.1 0.666
4azw ATPO-antigen chain terminator bifunctional methyltransferase/kinase WbdD / 0.665
4c5c ATPD-alanine--D-alanine ligase B 6.3.2.4 0.665
4xw5 ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.665
2py3 ACPFibroblast growth factor receptor 2 / 0.664
5iqa GNPBifunctional AAC/APH 2.3.1 0.664
4q5h ANPProtein kinase OspG 2.7 0.663
5iqi GNPBifunctional AAC/APH 2.3.1 0.663
3mia ANPCyclin-dependent kinase 9 2.7.11.22 0.662
4aqk ADPInositol-pentakisphosphate 2-kinase 2.7.1.158 0.662
4axf ANPInositol-pentakisphosphate 2-kinase 2.7.1.158 0.662
4iay ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.662
1jnk ANPMitogen-activated protein kinase 10 2.7.11.24 0.661
1t36 ADPCarbamoyl-phosphate synthase large chain / 0.661
2phk ATPPhosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform 2.7.11.19 0.661
4ej7 ATPAminoglycoside 3'-phosphotransferase AphA1-IAB / 0.661
4pl3 ADPSerine/threonine-protein kinase/endoribonuclease IRE1 2.7.11.1 0.661
2wqe ADPAurora kinase A 2.7.11.1 0.659
3nsz ANPCasein kinase II subunit alpha 2.7.11.1 0.659
1w2c ANPInositol-trisphosphate 3-kinase A 2.7.1.127 0.658
3q1k ADPD-alanine--D-alanine ligase A 6.3.2.4 0.658
1daw ANPCasein kinase II subunit alpha 2.7.11.1 0.657
4xw4 ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.657
3fhi ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.656
4axd ANPInositol-pentakisphosphate 2-kinase 2.7.1.158 0.656
1q24 ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.655
4ffm ADPUncharacterized protein / 0.655
4jqe ANPCasein kinase II subunit alpha 2.7.11.1 0.655
3wo1 ADPAlanine--anticapsin ligase / 0.654
3tpt ADPSerine/threonine-protein kinase toxin HipA / 0.653
4riy ADPEpidermal growth factor receptor 2.7.10.1 0.653
3lct ADPALK tyrosine kinase receptor 2.7.10.1 0.651
4bl1 ANPMaternal embryonic leucine zipper kinase 2.7.11.1 0.651
4fmq ANPMitogen-activated protein kinase 1 2.7.11.24 0.651
5iqd GNPBifunctional AAC/APH 2.3.1 0.651
5iqf GDPBifunctional AAC/APH 2.3.1 0.651
3mfs ANPPeripheral plasma membrane protein CASK 2.7.11.1 0.650