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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
4qpm ADP Mitotic checkpoint serine/threonine-protein kinase BUB1 2.7.11.1

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
4qpm ADPMitotic checkpoint serine/threonine-protein kinase BUB1 2.7.11.1 1.052
4r8q ADPMitotic checkpoint serine/threonine-protein kinase BUB1 2.7.11.1 1.044
4dee ADPAurora kinase A 2.7.11.1 0.888
1mq4 ADPAurora kinase A 2.7.11.1 0.881
4i3z ADPCyclin-dependent kinase 2 2.7.11.22 0.878
4iad ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.870
4gvj ADPNon-receptor tyrosine-protein kinase TYK2 2.7.10.2 0.855
5e92 ANPTGF-beta receptor type-2 2.7.11.30 0.853
4iai ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.839
4ysj ADPCalmodulin-like domain protein kinase / 0.839
5dn3 ATPAurora kinase A 2.7.11.1 0.838
1j7l ADPAminoglycoside 3'-phosphotransferase 2.7.1.95 0.835
2b9i ADPMitogen-activated protein kinase FUS3 2.7.11.24 0.835
5dt3 ATPAurora kinase A 2.7.11.1 0.834
4oau ADP2-5A-dependent ribonuclease 3.1.26 0.832
4oav ACP2-5A-dependent ribonuclease 3.1.26 0.830
1l8t ADPAminoglycoside 3'-phosphotransferase 2.7.1.95 0.824
2b9j ADPMitogen-activated protein kinase FUS3 2.7.11.24 0.821
4dn5 AGSMitogen-activated protein kinase kinase kinase 14 2.7.11.25 0.821
4krc AGSCyclin-dependent protein kinase PHO85 2.7.11.22 0.814
4hpt ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.812
4uak ADPSerine/threonine-protein kinase MRCK beta 2.7.11.1 0.810
3fhi ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.808
4ceg ADPAurora kinase A 2.7.11.1 0.808
5drd ATPAurora kinase A 2.7.11.1 0.807
5dr2 ATPAurora kinase A 2.7.11.1 0.806
3c4z ADPRhodopsin kinase / 0.805
2qcs ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.804
4fi1 ATPCasein kinase II subunit alpha 2.7.11.1 0.803
4mwh ATPCasein kinase II subunit alpha 2.7.11.1 0.803
2b0q ADPAminoglycoside 3'-phosphotransferase 2.7.1.95 0.802
4utd ACPAurora kinase A 2.7.11.1 0.801
4k33 ACPFibroblast growth factor receptor 3 2.7.10.1 0.800
2pyw ADPMethylthioribose kinase 2.7.1.100 0.799
2b9f ADPMitogen-activated protein kinase FUS3 2.7.11.24 0.793
4nm7 ADPGlycogen synthase kinase-3 beta 2.7.11.26 0.791
3c50 ADPRhodopsin kinase / 0.788
4dg3 ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.788
4oa9 ANPProtein BRASSINOSTEROID INSENSITIVE 1 2.7.10.1 0.785
5dos ATPAurora kinase A 2.7.11.1 0.785
1o6k ANPRAC-beta serine/threonine-protein kinase 2.7.11.1 0.784
4f99 ADPCell division cycle 7-related protein kinase 2.7.11.1 0.782
5dt4 ATPAurora kinase A 2.7.11.1 0.780
4lv8 ADPRhoptry protein 5 C / 0.779
1pyx ANPGlycogen synthase kinase-3 beta 2.7.11.26 0.778
1ig1 ANPDeath-associated protein kinase 1 2.7.11.1 0.777
3dfc ANPDeath-associated protein kinase 1 2.7.11.1 0.776
4ii5 ADPCyclin-dependent kinase 2 2.7.11.22 0.776
2bkk ADPAminoglycoside 3'-phosphotransferase 2.7.1.95 0.775
1lp4 ANPCasein kinase II subunit alpha 2.7.11.1 0.774
4dh7 ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.774
2w4j ADPDeath-associated protein kinase 1 2.7.11.1 0.773
4nm5 ADPGlycogen synthase kinase-3 beta 2.7.11.26 0.772
3t9e ADPInositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2 / 0.768
4lfi GNPCasein kinase II subunit alpha 2.7.11.1 0.766
1q24 ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.765
2xuu ADPDeath-associated protein kinase 1 2.7.11.1 0.765
4iaz ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.764
2w4k ADPDeath-associated protein kinase 1 2.7.11.1 0.763
4qny ANPMitogen activated protein kinase, putative / 0.763
4xw6 ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.763
5dmz ADPMitotic checkpoint serine/threonine-protein kinase BUB1 2.7.11.1 0.763
5dnr ATPAurora kinase A 2.7.11.1 0.763
4iak ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.762
3idb ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.759
2olc ADPMethylthioribose kinase 2.7.1.100 0.758
3x2w ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.758
1cdk ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.756
1cm8 ANPMitogen-activated protein kinase 12 / 0.756
1q8y ADPSerine/threonine-protein kinase SKY1 2.7.11.1 0.755
2pui ADPMethylthioribose kinase 2.7.1.100 0.755
3fjq ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.755
5cvh ADPCasein kinase II subunit alpha 2.7.11.1 0.755
1phk ATPPhosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform 2.7.11.19 0.754
4n57 ADPAPH(2'')-Id / 0.754
4xw4 ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.754
5iqf GDPBifunctional AAC/APH 2.3.1 0.754
1j7u ANPAminoglycoside 3'-phosphotransferase 2.7.1.95 0.753
4bn1 ADPAurora kinase A 2.7.11.1 0.753
4q4c ADPInositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2 / 0.753
1o6y ACPSerine/threonine-protein kinase PknB 2.7.11.1 0.752
4xw5 ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.752
5ce3 ADPProtein kinase YopO / 0.752
2pup ADPMethylthioribose kinase 2.7.1.100 0.751
3cly ACPFibroblast growth factor receptor 2 / 0.751
1j1c ADPGlycogen synthase kinase-3 beta 2.7.11.26 0.750
3gu7 ADPDeath-associated protein kinase 1 2.7.11.1 0.750
4dh5 ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.750
1ol5 ADPAurora kinase A 2.7.11.1 0.749
4aw1 ATP3-phosphoinositide-dependent protein kinase 1 2.7.11.1 0.745
3o7l ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.744
1qmz ATPCyclin-dependent kinase 2 2.7.11.22 0.743
4gyi ADPUncharacterized protein / 0.743
1jkl ANPDeath-associated protein kinase 1 2.7.11.1 0.742
3x2u ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.742
4iaf ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.742
3gu5 ANPDeath-associated protein kinase 1 2.7.11.1 0.741
4f9a ADPCell division cycle 7-related protein kinase 2.7.11.1 0.740
4x6r ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.737
3gu6 ADPDeath-associated protein kinase 1 2.7.11.1 0.736
4iac ACPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.736
5awm ANPStress-activated protein kinase JNK 2.7.11.24 0.736
2pz5 ACPFibroblast growth factor receptor 2 / 0.735
2phk ATPPhosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform 2.7.11.19 0.734
3t99 ADPInositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2 / 0.734
3tm0 ANPAminoglycoside 3'-phosphotransferase 2.7.1.95 0.734
5iqb GNPBifunctional AAC/APH 2.3.1 0.732
2rio ADPSerine/threonine-protein kinase/endoribonuclease IRE1 2.7.11.1 0.731
4eoo ATPCyclin-dependent kinase 2 2.7.11.22 0.731
4wb6 ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.731
4wh2 ADPN-acetylhexosamine 1-kinase 2.7.1.162 0.730
2dwb ANPAurora kinase A 2.7.11.1 0.729
4ork GDPBifunctional AAC/APH 2.3.1 0.729
2a19 ANPInterferon-induced, double-stranded RNA-activated protein kinase 2.7.11.1 0.728
3vpb ADPGlutamate--LysW ligase ArgX 6.3.2 0.727
3x2v ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.727
4nif ANPMitogen-activated protein kinase 1 2.7.11.24 0.727
4wbb ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.726
2y9q ANPMitogen-activated protein kinase 1 2.7.11.24 0.725
3llt ANPProtein serine/threonine kinase-1 / 0.725
4xlv ACPInsulin receptor 2.7.10.1 0.725
1ol6 ATPAurora kinase A 2.7.11.1 0.722
3oro AGSSerine/threonine protein kinase / 0.720
1z2p ACPInositol-tetrakisphosphate 1-kinase 2.7.1.134 0.719
3orm AGSSerine/threonine protein kinase / 0.719
3t8o ATPRhodopsin kinase / 0.718
3bu5 ATPInsulin receptor 2.7.10.1 0.717
3niz ADPCdc2-like CDK2/CDC28 like protein kinase / 0.717
3tdw GDPGentamicin resistance protein / 0.713
4ic7 ANPMitogen-activated protein kinase 7 2.7.11.24 0.713
4nzo ANPInositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2 / 0.713
4ifc ADPSerine/threonine-protein kinase PRP4 homolog 2.7.11.1 0.711
4ocp ADPN-acetylhexosamine 1-kinase 2.7.1.162 0.710
1daw ANPCasein kinase II subunit alpha 2.7.11.1 0.708
1zar ADPRIO-type serine/threonine-protein kinase Rio2 2.7.11.1 0.707
1pkg ADPMast/stem cell growth factor receptor Kit 2.7.10.1 0.706
4iay ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.706
3dnt ATPSerine/threonine-protein kinase toxin HipA / 0.705
3qc9 ADPRhodopsin kinase / 0.705
4zs4 ATPMyosin heavy chain kinase A 2.7.11.7 0.705
4fl1 ANPTyrosine-protein kinase SYK 2.7.10.2 0.704
4fmq ANPMitogen-activated protein kinase 1 2.7.11.24 0.704
5iqh GNPBifunctional AAC/APH 2.3.1 0.704
2cci ATPCyclin-dependent kinase 2 2.7.11.22 0.703
2py3 ACPFibroblast growth factor receptor 2 / 0.703
3c4w ATPRhodopsin kinase / 0.703
3lmi ATPMyosin heavy chain kinase A 2.7.11.7 0.703
1tqm ANPRIO-type serine/threonine-protein kinase Rio2 2.7.11.1 0.700
3nsz ANPCasein kinase II subunit alpha 2.7.11.1 0.700
2j0l ANPFocal adhesion kinase 1 2.7.10.2 0.698
3nie ANPMitogen-activated protein kinase / 0.698
1xr1 ANPSerine/threonine-protein kinase pim-1 2.7.11.1 0.697
3k5h ATPPhosphoribosyl-aminoimidazole carboxylase / 0.697
3ori AGSSerine/threonine protein kinase / 0.696
4ej7 ATPAminoglycoside 3'-phosphotransferase AphA1-IAB / 0.696
5byl GCPBifunctional AAC/APH 2.3.1 0.696
3t9d ANPInositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2 / 0.693
3w8q AGSDual specificity mitogen-activated protein kinase kinase 1 2.7.12.2 0.693
4h3q ANPMitogen-activated protein kinase 1 2.7.11.24 0.691
4iir ANPSerine/threonine-protein kinase PRP4 homolog 2.7.11.1 0.691
4o1p ANPRibonuclease L / 0.690
4otp ADPSerine/threonine-protein kinase RIO1 2.7.11.1 0.690
5eg3 ACPFibroblast growth factor receptor 2 / 0.690
4pds ANPSerine/threonine-protein kinase RAD53 2.7.12.1 0.689
3wnz ADPAlanine--anticapsin ligase / 0.686
4jqe ANPCasein kinase II subunit alpha 2.7.11.1 0.686
1j1b ANPGlycogen synthase kinase-3 beta 2.7.11.26 0.685
4zgn ATPCell division cycle protein 123 / 0.684
1jbp ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.683
1m0w ANPGlutathione synthetase 6.3.2.3 0.681
4jr7 GNPCasein kinase II subunit alpha 2.7.11.1 0.681
4bfm ANPMaternal embryonic leucine zipper kinase 2.7.11.1 0.680
3igo ANPCalmodulin-domain protein kinase 1, putative / 0.679
5ckw ANPUncharacterized protein / 0.679
1u5r ATPSerine/threonine-protein kinase TAO2 2.7.11.1 0.678
4c5b ADPD-alanine--D-alanine ligase B 6.3.2.4 0.677
2hen ADPEphrin type-B receptor 2 2.7.10.1 0.676
4ib3 ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.676
2pzp ACPFibroblast growth factor receptor 2 / 0.675
5iqe GNPBifunctional AAC/APH 2.3.1 0.675
2ioa ADPBifunctional glutathionylspermidine synthetase/amidase / 0.673
3mia ANPCyclin-dependent kinase 9 2.7.11.22 0.673
4eom ATPCyclin-dependent kinase 2 2.7.11.22 0.673
4q5h ANPProtein kinase OspG 2.7 0.673
4ffl ADPUncharacterized protein / 0.672
1csn ATPCasein kinase I homolog 1 2.7.11.1 0.670
1zp9 ATPRIO-type serine/threonine-protein kinase Rio1 2.7.11.1 0.670
4db1 ANPMyosin-7 / 0.670
1mru AGSSerine/threonine-protein kinase PknB 2.7.11.1 0.669
2io7 ANPBifunctional glutathionylspermidine synthetase/amidase / 0.669
3f5u ANPDeath-associated protein kinase 1 2.7.11.1 0.669
4ffr ATPUncharacterized protein / 0.669
3a7j ADPSerine/threonine-protein kinase 24 2.7.11.1 0.668
2qoq ANPEphrin type-A receptor 3 2.7.10.1 0.667
4ekk ANPRAC-alpha serine/threonine-protein kinase 2.7.11.1 0.667
4yhj AN2G protein-coupled receptor kinase 4 2.7.11.16 0.667
5iqa GNPBifunctional AAC/APH 2.3.1 0.667
3akk ADPSerine/threonine-protein kinase CtkA 2.7.11.1 0.666
3rv4 ADPBiotin carboxylase 6.3.4.14 0.665
4axd ANPInositol-pentakisphosphate 2-kinase 2.7.1.158 0.665
3idc ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.664
3ort AGSSerine/threonine protein kinase / 0.664
5e9e ANPMyosin heavy chain kinase A 2.7.11.7 0.664
5iqi GNPBifunctional AAC/APH 2.3.1 0.664
3udz ADPInositol-pentakisphosphate 2-kinase 2.7.1.158 0.663
2xrw ANPMitogen-activated protein kinase 8 2.7.11.24 0.662
4o0u ADNAurora kinase A 2.7.11.1 0.662
3hko ANPCalcium/calmodulin-dependent protein kinase with a kinase domain and 2 calmodulin-like EF hands / 0.661
4ux9 ANPMitogen-activated protein kinase 8 2.7.11.24 0.660
1mp8 ADPFocal adhesion kinase 1 2.7.10.2 0.659
1u54 ACPActivated CDC42 kinase 1 / 0.659
3eth ATPN5-carboxyaminoimidazole ribonucleotide synthase / 0.659
3wo1 ADPAlanine--anticapsin ligase / 0.659
4azw ATPO-antigen chain terminator bifunctional methyltransferase/kinase WbdD / 0.659
4c3r ACPAurora kinase A 2.7.11.1 0.659
4pl3 ADPSerine/threonine-protein kinase/endoribonuclease IRE1 2.7.11.1 0.659
4o0w ADNAurora kinase A 2.7.11.1 0.658
1ytm ATPPhosphoenolpyruvate carboxykinase (ATP) / 0.657
4y0x ADPSerine/threonine-protein kinase PknG 2.7.11.1 0.657
2ijm ADPFocal adhesion kinase 1 2.7.10.2 0.656
5iqd GNPBifunctional AAC/APH 2.3.1 0.656
3g51 ANPRibosomal protein S6 kinase alpha-3 2.7.11.1 0.655
3r5f ATPD-alanine--D-alanine ligase / 0.655
3tpt ADPSerine/threonine-protein kinase toxin HipA / 0.655
2j9g ADPBiotin carboxylase 6.3.4.14 0.654
4dh3 ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.654
2zoq 5IDMitogen-activated protein kinase 3 2.7.11.24 0.653
2hgs ADPGlutathione synthetase 6.3.2.3 0.651
2wqe ADPAurora kinase A 2.7.11.1 0.651
3lmh ADPMyosin heavy chain kinase A 2.7.11.7 0.651
2pun ACPMethylthioribose kinase 2.7.1.100 0.650