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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
4dee ADP Aurora kinase A 2.7.11.1

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
4dee ADPAurora kinase A 2.7.11.1 1.015
1mq4 ADPAurora kinase A 2.7.11.1 0.969
4ceg ADPAurora kinase A 2.7.11.1 0.958
5dt3 ATPAurora kinase A 2.7.11.1 0.923
5dn3 ATPAurora kinase A 2.7.11.1 0.903
4utd ACPAurora kinase A 2.7.11.1 0.899
3c4z ADPRhodopsin kinase / 0.897
5dr2 ATPAurora kinase A 2.7.11.1 0.890
4qpm ADPMitotic checkpoint serine/threonine-protein kinase BUB1 2.7.11.1 0.888
4r8q ADPMitotic checkpoint serine/threonine-protein kinase BUB1 2.7.11.1 0.879
3c50 ADPRhodopsin kinase / 0.877
4i3z ADPCyclin-dependent kinase 2 2.7.11.22 0.864
4oa9 ANPProtein BRASSINOSTEROID INSENSITIVE 1 2.7.10.1 0.858
5dos ATPAurora kinase A 2.7.11.1 0.853
5drd ATPAurora kinase A 2.7.11.1 0.853
4iai ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.844
3qc9 ADPRhodopsin kinase / 0.842
1j7l ADPAminoglycoside 3'-phosphotransferase 2.7.1.95 0.834
2b9i ADPMitogen-activated protein kinase FUS3 2.7.11.24 0.833
4krc AGSCyclin-dependent protein kinase PHO85 2.7.11.22 0.831
2b9f ADPMitogen-activated protein kinase FUS3 2.7.11.24 0.829
4oav ACP2-5A-dependent ribonuclease 3.1.26 0.829
1l8t ADPAminoglycoside 3'-phosphotransferase 2.7.1.95 0.828
2pyw ADPMethylthioribose kinase 2.7.1.100 0.828
4bn1 ADPAurora kinase A 2.7.11.1 0.823
2pui ADPMethylthioribose kinase 2.7.1.100 0.821
4k33 ACPFibroblast growth factor receptor 3 2.7.10.1 0.821
4nm7 ADPGlycogen synthase kinase-3 beta 2.7.11.26 0.821
4hpt ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.818
5e92 ANPTGF-beta receptor type-2 2.7.11.30 0.818
1o6k ANPRAC-beta serine/threonine-protein kinase 2.7.11.1 0.817
2w4j ADPDeath-associated protein kinase 1 2.7.11.1 0.816
1lp4 ANPCasein kinase II subunit alpha 2.7.11.1 0.812
3ori AGSSerine/threonine protein kinase / 0.807
4fi1 ATPCasein kinase II subunit alpha 2.7.11.1 0.807
1j7u ANPAminoglycoside 3'-phosphotransferase 2.7.1.95 0.804
1o6y ACPSerine/threonine-protein kinase PknB 2.7.11.1 0.804
2bkk ADPAminoglycoside 3'-phosphotransferase 2.7.1.95 0.801
4nm5 ADPGlycogen synthase kinase-3 beta 2.7.11.26 0.797
2rio ADPSerine/threonine-protein kinase/endoribonuclease IRE1 2.7.11.1 0.796
5dt4 ATPAurora kinase A 2.7.11.1 0.795
4mwh ATPCasein kinase II subunit alpha 2.7.11.1 0.790
5dnr ATPAurora kinase A 2.7.11.1 0.789
2b9j ADPMitogen-activated protein kinase FUS3 2.7.11.24 0.788
2dwb ANPAurora kinase A 2.7.11.1 0.785
3gu7 ADPDeath-associated protein kinase 1 2.7.11.1 0.785
3gu6 ADPDeath-associated protein kinase 1 2.7.11.1 0.783
4aw1 ATP3-phosphoinositide-dependent protein kinase 1 2.7.11.1 0.783
2b0q ADPAminoglycoside 3'-phosphotransferase 2.7.1.95 0.782
4iaf ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.782
1ol5 ADPAurora kinase A 2.7.11.1 0.781
3orm AGSSerine/threonine protein kinase / 0.781
4iad ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.781
3t8o ATPRhodopsin kinase / 0.779
4oau ADP2-5A-dependent ribonuclease 3.1.26 0.779
4qny ANPMitogen activated protein kinase, putative / 0.779
2pun ACPMethylthioribose kinase 2.7.1.100 0.777
4ii5 ADPCyclin-dependent kinase 2 2.7.11.22 0.776
2w4k ADPDeath-associated protein kinase 1 2.7.11.1 0.775
4gyi ADPUncharacterized protein / 0.772
1phk ATPPhosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform 2.7.11.19 0.770
1q8y ADPSerine/threonine-protein kinase SKY1 2.7.11.1 0.770
1ig1 ANPDeath-associated protein kinase 1 2.7.11.1 0.769
2pup ADPMethylthioribose kinase 2.7.1.100 0.769
4f9a ADPCell division cycle 7-related protein kinase 2.7.11.1 0.769
1zth ADPRIO-type serine/threonine-protein kinase Rio1 2.7.11.1 0.768
2pz5 ACPFibroblast growth factor receptor 2 / 0.768
4dn5 AGSMitogen-activated protein kinase kinase kinase 14 2.7.11.25 0.768
2qcs ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.767
4dh5 ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.767
4f99 ADPCell division cycle 7-related protein kinase 2.7.11.1 0.766
1jkl ANPDeath-associated protein kinase 1 2.7.11.1 0.765
3bu5 ATPInsulin receptor 2.7.10.1 0.764
2phk ATPPhosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform 2.7.11.19 0.763
5cvh ADPCasein kinase II subunit alpha 2.7.11.1 0.762
1pyx ANPGlycogen synthase kinase-3 beta 2.7.11.26 0.759
3cly ACPFibroblast growth factor receptor 2 / 0.759
4xw5 ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.759
4xlv ACPInsulin receptor 2.7.10.1 0.758
1q24 ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.756
4ysj ADPCalmodulin-like domain protein kinase / 0.756
5awm ANPStress-activated protein kinase JNK 2.7.11.24 0.756
1cm8 ANPMitogen-activated protein kinase 12 / 0.755
1jkk ANPDeath-associated protein kinase 1 2.7.11.1 0.753
4gvj ADPNon-receptor tyrosine-protein kinase TYK2 2.7.10.2 0.753
4lfi GNPCasein kinase II subunit alpha 2.7.11.1 0.751
3gu5 ANPDeath-associated protein kinase 1 2.7.11.1 0.750
4eom ATPCyclin-dependent kinase 2 2.7.11.22 0.750
4xw6 ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.750
4wb6 ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.747
4dh3 ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.746
4ej7 ATPAminoglycoside 3'-phosphotransferase AphA1-IAB / 0.746
1j1c ADPGlycogen synthase kinase-3 beta 2.7.11.26 0.745
1qmz ATPCyclin-dependent kinase 2 2.7.11.22 0.745
4uak ADPSerine/threonine-protein kinase MRCK beta 2.7.11.1 0.744
4ork GDPBifunctional AAC/APH 2.3.1 0.740
3fhi ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.739
4ic7 ANPMitogen-activated protein kinase 7 2.7.11.24 0.739
3tm0 ANPAminoglycoside 3'-phosphotransferase 2.7.1.95 0.738
3w8q AGSDual specificity mitogen-activated protein kinase kinase 1 2.7.12.2 0.738
4ekk ANPRAC-alpha serine/threonine-protein kinase 2.7.11.1 0.738
1u5r ATPSerine/threonine-protein kinase TAO2 2.7.11.1 0.737
4fmq ANPMitogen-activated protein kinase 1 2.7.11.24 0.736
4azw ATPO-antigen chain terminator bifunctional methyltransferase/kinase WbdD / 0.734
4q5h ANPProtein kinase OspG 2.7 0.734
1ol6 ATPAurora kinase A 2.7.11.1 0.733
3akl ADPSerine/threonine-protein kinase CtkA 2.7.11.1 0.732
3c4w ATPRhodopsin kinase / 0.732
4dg3 ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.732
1ol7 ADPAurora kinase A 2.7.11.1 0.731
3fjq ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.730
4btj ADPTau-tubulin kinase 1 2.7.11.1 0.730
2pul ACPMethylthioribose kinase 2.7.1.100 0.729
2xuu ADPDeath-associated protein kinase 1 2.7.11.1 0.729
4n57 ADPAPH(2'')-Id / 0.729
5ce3 ADPProtein kinase YopO / 0.729
1zar ADPRIO-type serine/threonine-protein kinase Rio2 2.7.11.1 0.727
1mru AGSSerine/threonine-protein kinase PknB 2.7.11.1 0.725
2cci ATPCyclin-dependent kinase 2 2.7.11.22 0.725
3x2w ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.725
3x2v ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.724
4dh7 ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.724
4zgn ATPCell division cycle protein 123 / 0.724
4iak ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.723
2py3 ACPFibroblast growth factor receptor 2 / 0.722
4fu0 ADPD-alanine--D-alanine ligase / 0.720
3udz ADPInositol-pentakisphosphate 2-kinase 2.7.1.158 0.719
4nif ANPMitogen-activated protein kinase 1 2.7.11.24 0.717
1j1b ANPGlycogen synthase kinase-3 beta 2.7.11.26 0.716
5iqe GNPBifunctional AAC/APH 2.3.1 0.715
3f5u ANPDeath-associated protein kinase 1 2.7.11.1 0.714
3vpb ADPGlutamate--LysW ligase ArgX 6.3.2 0.712
4ix5 ANPUncharacterized protein / 0.712
5eg3 ACPFibroblast growth factor receptor 2 / 0.709
4c3r ACPAurora kinase A 2.7.11.1 0.708
4h3q ANPMitogen-activated protein kinase 1 2.7.11.24 0.707
5iqb GNPBifunctional AAC/APH 2.3.1 0.707
1z2p ACPInositol-tetrakisphosphate 1-kinase 2.7.1.134 0.706
2pzp ACPFibroblast growth factor receptor 2 / 0.706
2xan ANPInositol-pentakisphosphate 2-kinase 2.7.1.158 0.706
2olc ADPMethylthioribose kinase 2.7.1.100 0.705
3t9a ANPInositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2 / 0.705
3t9f ADPInositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2 / 0.705
4bfm ANPMaternal embryonic leucine zipper kinase 2.7.11.1 0.705
2vqd AP2Biotin carboxylase 6.3.4.14 0.704
3nie ANPMitogen-activated protein kinase / 0.704
3t9e ADPInositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2 / 0.703
4x6r ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.703
4y12 AGSSerine/threonine-protein kinase PknG 2.7.11.1 0.703
1daw ANPCasein kinase II subunit alpha 2.7.11.1 0.702
3eth ATPN5-carboxyaminoimidazole ribonucleotide synthase / 0.702
3c4x ATPRhodopsin kinase / 0.701
4jr7 GNPCasein kinase II subunit alpha 2.7.11.1 0.701
1tqm ANPRIO-type serine/threonine-protein kinase Rio2 2.7.11.1 0.700
4o0w ADNAurora kinase A 2.7.11.1 0.700
1jnk ANPMitogen-activated protein kinase 10 2.7.11.24 0.699
2y9q ANPMitogen-activated protein kinase 1 2.7.11.24 0.699
4yhj AN2G protein-coupled receptor kinase 4 2.7.11.16 0.699
5iqf GDPBifunctional AAC/APH 2.3.1 0.698
2qo7 ANPEphrin type-A receptor 3 2.7.10.1 0.697
4ib3 ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.697
3o7l ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.696
4c5b ADPD-alanine--D-alanine ligase B 6.3.2.4 0.696
4ifc ADPSerine/threonine-protein kinase PRP4 homolog 2.7.11.1 0.696
2pml ANPUncharacterized protein / 0.695
3wow ANPCasein kinase II subunit alpha 2.7.11.1 0.694
4iaz ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.694
5l8k ADPAurora kinase A 2.7.11.1 0.694
3a7j ADPSerine/threonine-protein kinase 24 2.7.11.1 0.693
3vpc ADPGlutamate--LysW ligase ArgX 6.3.2 0.693
4eoo ATPCyclin-dependent kinase 2 2.7.11.22 0.693
2j0l ANPFocal adhesion kinase 1 2.7.10.2 0.692
3niz ADPCdc2-like CDK2/CDC28 like protein kinase / 0.692
4crs AGSSerine/threonine-protein kinase N2 2.7.11.13 0.692
5iqa GNPBifunctional AAC/APH 2.3.1 0.692
3nsz ANPCasein kinase II subunit alpha 2.7.11.1 0.691
4bl1 ANPMaternal embryonic leucine zipper kinase 2.7.11.1 0.691
4wh2 ADPN-acetylhexosamine 1-kinase 2.7.1.162 0.691
1cdk ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.690
3dfc ANPDeath-associated protein kinase 1 2.7.11.1 0.690
4lv7 ADPInositol-pentakisphosphate 2-kinase 2.7.1.158 0.690
1zao ATPRIO-type serine/threonine-protein kinase Rio2 2.7.11.1 0.689
3akk ADPSerine/threonine-protein kinase CtkA 2.7.11.1 0.689
2hen ADPEphrin type-B receptor 2 2.7.10.1 0.688
3t9d ANPInositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2 / 0.688
3lmi ATPMyosin heavy chain kinase A 2.7.11.7 0.687
4fg7 ATPCalcium/calmodulin-dependent protein kinase type 1 2.7.11.17 0.686
4o0u ADNAurora kinase A 2.7.11.1 0.686
4wbb ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.686
5dmz ADPMitotic checkpoint serine/threonine-protein kinase BUB1 2.7.11.1 0.686
2qoq ANPEphrin type-A receptor 3 2.7.10.1 0.685
4aqk ADPInositol-pentakisphosphate 2-kinase 2.7.1.158 0.684
4ffr ATPUncharacterized protein / 0.684
4pds ANPSerine/threonine-protein kinase RAD53 2.7.12.1 0.684
1m0w ANPGlutathione synthetase 6.3.2.3 0.683
2xrw ANPMitogen-activated protein kinase 8 2.7.11.24 0.682
3idb ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.682
4iir ANPSerine/threonine-protein kinase PRP4 homolog 2.7.11.1 0.682
5iqd GNPBifunctional AAC/APH 2.3.1 0.682
3hko ANPCalcium/calmodulin-dependent protein kinase with a kinase domain and 2 calmodulin-like EF hands / 0.681
1w2c ANPInositol-trisphosphate 3-kinase A 2.7.1.127 0.680
3att ATPPutative aminoglycoside phosphotransferase 2.7.1 0.680
4ffm ADPUncharacterized protein / 0.680
4iay ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.680
2dwp ACP6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 2.7.1.105 0.679
3t99 ADPInositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2 / 0.679
4nzo ANPInositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2 / 0.679
2ioa ADPBifunctional glutathionylspermidine synthetase/amidase / 0.678
2py7 ATPPhosphoenolpyruvate carboxykinase (ATP) / 0.678
3i12 ADPD-alanine--D-alanine ligase A 6.3.2.4 0.678
3pff ADPATP-citrate synthase 2.3.3.8 0.678
4y0x ADPSerine/threonine-protein kinase PknG 2.7.11.1 0.678
3idc ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.677
3tdw GDPGentamicin resistance protein / 0.677
1zp9 ATPRIO-type serine/threonine-protein kinase Rio1 2.7.11.1 0.676
1xr1 ANPSerine/threonine-protein kinase pim-1 2.7.11.1 0.675
3g6w GTPUracil phosphoribosyltransferase 2.4.2.9 0.675
5iqi GNPBifunctional AAC/APH 2.3.1 0.675
1jbp ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.674
4iac ACPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.673
4pl3 ADPSerine/threonine-protein kinase/endoribonuclease IRE1 2.7.11.1 0.673
2wqe ADPAurora kinase A 2.7.11.1 0.672
1khe GCPPhosphoenolpyruvate carboxykinase, cytosolic [GTP] 4.1.1.32 0.671
4fl1 ANPTyrosine-protein kinase SYK 2.7.10.2 0.671
1mp8 ADPFocal adhesion kinase 1 2.7.10.2 0.669
5l8l ADPAurora kinase A 2.7.11.1 0.669
1w2d ADPInositol-trisphosphate 3-kinase A 2.7.1.127 0.668
2zxu DSTtRNA dimethylallyltransferase 2.5.1.75 0.668
5iqh GNPBifunctional AAC/APH 2.3.1 0.668
2x0q ATPAlcaligin biosynthesis protein / 0.667
4otp ADPSerine/threonine-protein kinase RIO1 2.7.11.1 0.667
1z2n ADPInositol-tetrakisphosphate 1-kinase 2.7.1.134 0.666
2itv ANPEpidermal growth factor receptor 2.7.10.1 0.666
3a99 ANPSerine/threonine-protein kinase pim-1 2.7.11.1 0.665
3sqw ANPATP-dependent RNA helicase MSS116, mitochondrial 3.6.4.13 0.665
4ux9 ANPMitogen-activated protein kinase 8 2.7.11.24 0.665
3i5x ANPATP-dependent RNA helicase MSS116, mitochondrial 3.6.4.13 0.664
3tdv GDPGentamicin resistance protein / 0.664
4o1p ANPRibonuclease L / 0.664
1rfu ADPPyridoxal kinase 2.7.1.35 0.663
2itx ANPEpidermal growth factor receptor 2.7.10.1 0.663
3wnz ADPAlanine--anticapsin ligase / 0.663
4c3p ACPAurora kinase A 2.7.11.1 0.663
4cki ADNProto-oncogene tyrosine-protein kinase receptor Ret 2.7.10.1 0.663
3igo ANPCalmodulin-domain protein kinase 1, putative / 0.662
3rv4 ADPBiotin carboxylase 6.3.4.14 0.662
4axf ANPInositol-pentakisphosphate 2-kinase 2.7.1.158 0.662
4ckj ADNProto-oncogene tyrosine-protein kinase receptor Ret 2.7.10.1 0.661
1a9x ADPCarbamoyl-phosphate synthase large chain / 0.660
1fq1 ATPCyclin-dependent kinase 2 2.7.11.22 0.660
4btj ATPTau-tubulin kinase 1 2.7.11.1 0.660
5byl GCPBifunctional AAC/APH 2.3.1 0.660
5l6w AGSLIM domain kinase 1 2.7.11.1 0.660
1day GNPCasein kinase II subunit alpha 2.7.11.1 0.659
3mia ANPCyclin-dependent kinase 9 2.7.11.22 0.659
3q5i ANPProtein kinase, putative / 0.659
4ki0 ANPMaltose/maltodextrin import ATP-binding protein MalK / 0.659
2a19 ANPInterferon-induced, double-stranded RNA-activated protein kinase 2.7.11.1 0.658
3wo0 ADPAlanine--anticapsin ligase / 0.658
3x2u ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.658
4lv8 ADPRhoptry protein 5 C / 0.657
1r89 CTPCCA-adding enzyme 2.7.7.72 0.656
2qo9 ANPEphrin type-A receptor 3 2.7.10.1 0.656
3r5f ATPD-alanine--D-alanine ligase / 0.656
2vuw 5IDSerine/threonine-protein kinase haspin 2.7.11.1 0.655
3bwj ARXcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.655
4ffl ADPUncharacterized protein / 0.655
5l8j ADPAurora kinase A 2.7.11.1 0.655
3k5h ATPPhosphoribosyl-aminoimidazole carboxylase / 0.654
3mfs ANPPeripheral plasma membrane protein CASK 2.7.11.1 0.654
1csn ATPCasein kinase I homolog 1 2.7.11.1 0.653
1u54 ACPActivated CDC42 kinase 1 / 0.653
1q99 ANPSerine/threonine-protein kinase SKY1 2.7.11.1 0.652
2pvr ANPCasein kinase II subunit alpha 2.7.11.1 0.651
4o4d ATPKinase / 0.651
1t36 ADPCarbamoyl-phosphate synthase large chain / 0.650