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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
4ceg ADP Aurora kinase A 2.7.11.1

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
4ceg ADPAurora kinase A 2.7.11.1 1.014
4dee ADPAurora kinase A 2.7.11.1 0.958
1mq4 ADPAurora kinase A 2.7.11.1 0.930
5dn3 ATPAurora kinase A 2.7.11.1 0.879
5dt3 ATPAurora kinase A 2.7.11.1 0.876
5drd ATPAurora kinase A 2.7.11.1 0.873
4oav ACP2-5A-dependent ribonuclease 3.1.26 0.863
5dr2 ATPAurora kinase A 2.7.11.1 0.852
4nm7 ADPGlycogen synthase kinase-3 beta 2.7.11.26 0.845
3c4z ADPRhodopsin kinase / 0.833
3c50 ADPRhodopsin kinase / 0.827
4bn1 ADPAurora kinase A 2.7.11.1 0.823
2pup ADPMethylthioribose kinase 2.7.1.100 0.821
2dwb ANPAurora kinase A 2.7.11.1 0.818
3ori AGSSerine/threonine protein kinase / 0.818
1l8t ADPAminoglycoside 3'-phosphotransferase 2.7.1.95 0.817
4xw6 ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.814
4utd ACPAurora kinase A 2.7.11.1 0.812
4qpm ADPMitotic checkpoint serine/threonine-protein kinase BUB1 2.7.11.1 0.808
2pyw ADPMethylthioribose kinase 2.7.1.100 0.807
2bkk ADPAminoglycoside 3'-phosphotransferase 2.7.1.95 0.804
5dnr ATPAurora kinase A 2.7.11.1 0.801
2w4k ADPDeath-associated protein kinase 1 2.7.11.1 0.800
3c4w ATPRhodopsin kinase / 0.800
3cly ACPFibroblast growth factor receptor 2 / 0.800
4iai ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.800
1q8y ADPSerine/threonine-protein kinase SKY1 2.7.11.1 0.797
1j7l ADPAminoglycoside 3'-phosphotransferase 2.7.1.95 0.796
2b0q ADPAminoglycoside 3'-phosphotransferase 2.7.1.95 0.795
4nm5 ADPGlycogen synthase kinase-3 beta 2.7.11.26 0.795
3t8o ATPRhodopsin kinase / 0.792
3qc9 ADPRhodopsin kinase / 0.790
5dos ATPAurora kinase A 2.7.11.1 0.790
4gvj ADPNon-receptor tyrosine-protein kinase TYK2 2.7.10.2 0.787
4i3z ADPCyclin-dependent kinase 2 2.7.11.22 0.787
4fi1 ATPCasein kinase II subunit alpha 2.7.11.1 0.786
3tm0 ANPAminoglycoside 3'-phosphotransferase 2.7.1.95 0.785
2rio ADPSerine/threonine-protein kinase/endoribonuclease IRE1 2.7.11.1 0.783
2pui ADPMethylthioribose kinase 2.7.1.100 0.782
4r8q ADPMitotic checkpoint serine/threonine-protein kinase BUB1 2.7.11.1 0.782
1lp4 ANPCasein kinase II subunit alpha 2.7.11.1 0.781
4lfi GNPCasein kinase II subunit alpha 2.7.11.1 0.781
5e92 ANPTGF-beta receptor type-2 2.7.11.30 0.781
2pul ACPMethylthioribose kinase 2.7.1.100 0.779
4gyi ADPUncharacterized protein / 0.779
4oa9 ANPProtein BRASSINOSTEROID INSENSITIVE 1 2.7.10.1 0.779
5dt4 ATPAurora kinase A 2.7.11.1 0.779
3orm AGSSerine/threonine protein kinase / 0.778
4ej7 ATPAminoglycoside 3'-phosphotransferase AphA1-IAB / 0.776
1j7u ANPAminoglycoside 3'-phosphotransferase 2.7.1.95 0.775
3dfc ANPDeath-associated protein kinase 1 2.7.11.1 0.773
2w4j ADPDeath-associated protein kinase 1 2.7.11.1 0.772
4oau ADP2-5A-dependent ribonuclease 3.1.26 0.772
4fmq ANPMitogen-activated protein kinase 1 2.7.11.24 0.771
4mwh ATPCasein kinase II subunit alpha 2.7.11.1 0.771
1o6k ANPRAC-beta serine/threonine-protein kinase 2.7.11.1 0.770
4f99 ADPCell division cycle 7-related protein kinase 2.7.11.1 0.767
1pyx ANPGlycogen synthase kinase-3 beta 2.7.11.26 0.766
4krc AGSCyclin-dependent protein kinase PHO85 2.7.11.22 0.766
3gu7 ADPDeath-associated protein kinase 1 2.7.11.1 0.763
3gu6 ADPDeath-associated protein kinase 1 2.7.11.1 0.761
4dn5 AGSMitogen-activated protein kinase kinase kinase 14 2.7.11.25 0.761
4ork GDPBifunctional AAC/APH 2.3.1 0.761
4xlv ACPInsulin receptor 2.7.10.1 0.761
3fjq ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.759
2xuu ADPDeath-associated protein kinase 1 2.7.11.1 0.758
4iaf ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.756
4xw5 ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.756
1ig1 ANPDeath-associated protein kinase 1 2.7.11.1 0.754
2b9j ADPMitogen-activated protein kinase FUS3 2.7.11.24 0.753
2b9f ADPMitogen-activated protein kinase FUS3 2.7.11.24 0.748
4n57 ADPAPH(2'')-Id / 0.748
4wb6 ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.748
4nif ANPMitogen-activated protein kinase 1 2.7.11.24 0.747
1o6y ACPSerine/threonine-protein kinase PknB 2.7.11.1 0.745
1jkl ANPDeath-associated protein kinase 1 2.7.11.1 0.742
2xan ANPInositol-pentakisphosphate 2-kinase 2.7.1.158 0.739
3dnt ATPSerine/threonine-protein kinase toxin HipA / 0.739
3niz ADPCdc2-like CDK2/CDC28 like protein kinase / 0.739
4iad ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.739
4eom ATPCyclin-dependent kinase 2 2.7.11.22 0.738
4ii5 ADPCyclin-dependent kinase 2 2.7.11.22 0.738
1j1c ADPGlycogen synthase kinase-3 beta 2.7.11.26 0.736
1ol5 ADPAurora kinase A 2.7.11.1 0.736
4lv7 ADPInositol-pentakisphosphate 2-kinase 2.7.1.158 0.736
1phk ATPPhosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform 2.7.11.19 0.735
3akl ADPSerine/threonine-protein kinase CtkA 2.7.11.1 0.735
3nie ANPMitogen-activated protein kinase / 0.735
3udz ADPInositol-pentakisphosphate 2-kinase 2.7.1.158 0.735
1jkk ANPDeath-associated protein kinase 1 2.7.11.1 0.734
5ce3 ADPProtein kinase YopO / 0.733
3gu5 ANPDeath-associated protein kinase 1 2.7.11.1 0.732
4qny ANPMitogen activated protein kinase, putative / 0.732
1qmz ATPCyclin-dependent kinase 2 2.7.11.22 0.730
2olc ADPMethylthioribose kinase 2.7.1.100 0.730
4k33 ACPFibroblast growth factor receptor 3 2.7.10.1 0.730
2y9q ANPMitogen-activated protein kinase 1 2.7.11.24 0.729
1ol6 ATPAurora kinase A 2.7.11.1 0.728
2pun ACPMethylthioribose kinase 2.7.1.100 0.727
2qcs ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.726
4c3r ACPAurora kinase A 2.7.11.1 0.725
4dh3 ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.725
2phk ATPPhosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform 2.7.11.19 0.724
2pzp ACPFibroblast growth factor receptor 2 / 0.724
4hpt ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.724
4btj ATPTau-tubulin kinase 1 2.7.11.1 0.722
5iqh GNPBifunctional AAC/APH 2.3.1 0.722
1mru AGSSerine/threonine-protein kinase PknB 2.7.11.1 0.721
1tqm ANPRIO-type serine/threonine-protein kinase Rio2 2.7.11.1 0.721
2pz5 ACPFibroblast growth factor receptor 2 / 0.721
4dh7 ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.721
3tdw GDPGentamicin resistance protein / 0.719
3akk ADPSerine/threonine-protein kinase CtkA 2.7.11.1 0.718
4eoo ATPCyclin-dependent kinase 2 2.7.11.22 0.718
3fhi ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.717
2cci ATPCyclin-dependent kinase 2 2.7.11.22 0.716
2ioa ADPBifunctional glutathionylspermidine synthetase/amidase / 0.716
3llt ANPProtein serine/threonine kinase-1 / 0.716
4o0u ADNAurora kinase A 2.7.11.1 0.716
1zar ADPRIO-type serine/threonine-protein kinase Rio2 2.7.11.1 0.715
3oro AGSSerine/threonine protein kinase / 0.715
3nsz ANPCasein kinase II subunit alpha 2.7.11.1 0.713
4ekk ANPRAC-alpha serine/threonine-protein kinase 2.7.11.1 0.713
2py3 ACPFibroblast growth factor receptor 2 / 0.712
2b9i ADPMitogen-activated protein kinase FUS3 2.7.11.24 0.711
4f9a ADPCell division cycle 7-related protein kinase 2.7.11.1 0.711
5cvh ADPCasein kinase II subunit alpha 2.7.11.1 0.709
4azw ATPO-antigen chain terminator bifunctional methyltransferase/kinase WbdD / 0.708
2a19 ANPInterferon-induced, double-stranded RNA-activated protein kinase 2.7.11.1 0.707
4ic7 ANPMitogen-activated protein kinase 7 2.7.11.24 0.707
1m0w ANPGlutathione synthetase 6.3.2.3 0.706
4uak ADPSerine/threonine-protein kinase MRCK beta 2.7.11.1 0.706
5byl GCPBifunctional AAC/APH 2.3.1 0.705
1u5r ATPSerine/threonine-protein kinase TAO2 2.7.11.1 0.704
4iir ANPSerine/threonine-protein kinase PRP4 homolog 2.7.11.1 0.704
4xw4 ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.704
1q24 ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.703
4c5b ADPD-alanine--D-alanine ligase B 6.3.2.4 0.703
5iqa GNPBifunctional AAC/APH 2.3.1 0.703
5iqe GNPBifunctional AAC/APH 2.3.1 0.703
5l8j ADPAurora kinase A 2.7.11.1 0.703
3t9a ANPInositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2 / 0.702
4aw1 ATP3-phosphoinositide-dependent protein kinase 1 2.7.11.1 0.701
4o0w ADNAurora kinase A 2.7.11.1 0.701
1zao ATPRIO-type serine/threonine-protein kinase Rio2 2.7.11.1 0.700
4axf ANPInositol-pentakisphosphate 2-kinase 2.7.1.158 0.700
5dmz ADPMitotic checkpoint serine/threonine-protein kinase BUB1 2.7.11.1 0.699
3c4x ATPRhodopsin kinase / 0.698
1jnk ANPMitogen-activated protein kinase 10 2.7.11.24 0.697
5iqf GDPBifunctional AAC/APH 2.3.1 0.697
1ol7 ADPAurora kinase A 2.7.11.1 0.696
4jrn ANPRhoptry kinase family protein / 0.696
4y12 AGSSerine/threonine-protein kinase PknG 2.7.11.1 0.696
5l8l ADPAurora kinase A 2.7.11.1 0.696
2j9g ADPBiotin carboxylase 6.3.4.14 0.695
3bu5 ATPInsulin receptor 2.7.10.1 0.694
3x2w ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.694
4ffr ATPUncharacterized protein / 0.694
4fl1 ANPTyrosine-protein kinase SYK 2.7.10.2 0.694
4wh2 ADPN-acetylhexosamine 1-kinase 2.7.1.162 0.694
1cdk ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.693
3f5u ANPDeath-associated protein kinase 1 2.7.11.1 0.693
3x2v ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.693
1tqp ATPRIO-type serine/threonine-protein kinase Rio2 2.7.11.1 0.692
3k5h ATPPhosphoribosyl-aminoimidazole carboxylase / 0.692
4zgn ATPCell division cycle protein 123 / 0.692
2qoq ANPEphrin type-A receptor 3 2.7.10.1 0.691
5eg3 ACPFibroblast growth factor receptor 2 / 0.691
3idb ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.689
4o1p ANPRibonuclease L / 0.688
1daw ANPCasein kinase II subunit alpha 2.7.11.1 0.687
1j1b ANPGlycogen synthase kinase-3 beta 2.7.11.26 0.687
2pml ANPUncharacterized protein / 0.685
4iac ACPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.685
4y0x ADPSerine/threonine-protein kinase PknG 2.7.11.1 0.685
5iqi GNPBifunctional AAC/APH 2.3.1 0.685
3tdv GDPGentamicin resistance protein / 0.684
3x2u ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.684
2j0l ANPFocal adhesion kinase 1 2.7.10.2 0.683
3eth ATPN5-carboxyaminoimidazole ribonucleotide synthase / 0.682
4ysj ADPCalmodulin-like domain protein kinase / 0.682
5iqd GNPBifunctional AAC/APH 2.3.1 0.682
1xr1 ANPSerine/threonine-protein kinase pim-1 2.7.11.1 0.681
2yaa ATPDeath-associated protein kinase 2 / 0.681
3lmi ATPMyosin heavy chain kinase A 2.7.11.7 0.681
4axd ANPInositol-pentakisphosphate 2-kinase 2.7.1.158 0.681
4x6r ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.681
2hen ADPEphrin type-B receptor 2 2.7.10.1 0.680
2wtk ANPSTE20-related kinase adapter protein alpha / 0.680
3tpt ADPSerine/threonine-protein kinase toxin HipA / 0.679
4dg3 ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.679
3att ATPPutative aminoglycoside phosphotransferase 2.7.1 0.678
4q5h ANPProtein kinase OspG 2.7 0.678
3o7l ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.677
3zfd ANPChromosome-associated kinesin KIF4 / 0.677
3vpc ADPGlutamate--LysW ligase ArgX 6.3.2 0.676
3vx4 ATPPutative ABC transporter, ATP-binding protein ComA / 0.676
4dh5 ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.676
1zp9 ATPRIO-type serine/threonine-protein kinase Rio1 2.7.11.1 0.675
1q99 ANPSerine/threonine-protein kinase SKY1 2.7.11.1 0.674
1w2c ANPInositol-trisphosphate 3-kinase A 2.7.1.127 0.674
4aqk ADPInositol-pentakisphosphate 2-kinase 2.7.1.158 0.674
4fg7 ATPCalcium/calmodulin-dependent protein kinase type 1 2.7.11.17 0.674
4o4f ATPKinase / 0.673
1day GNPCasein kinase II subunit alpha 2.7.11.1 0.672
4pds ANPSerine/threonine-protein kinase RAD53 2.7.12.1 0.672
3igo ANPCalmodulin-domain protein kinase 1, putative / 0.671
3mfs ANPPeripheral plasma membrane protein CASK 2.7.11.1 0.671
4bfm ANPMaternal embryonic leucine zipper kinase 2.7.11.1 0.671
3g51 ANPRibosomal protein S6 kinase alpha-3 2.7.11.1 0.669
3t9e ADPInositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2 / 0.669
2qo7 ANPEphrin type-A receptor 3 2.7.10.1 0.668
3idc ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.668
2cl6 CAGGTPase HRas / 0.667
3i5x ANPATP-dependent RNA helicase MSS116, mitochondrial 3.6.4.13 0.667
4o0s ADNAurora kinase A 2.7.11.1 0.666
3i12 ADPD-alanine--D-alanine ligase A 6.3.2.4 0.665
1cm8 ANPMitogen-activated protein kinase 12 / 0.664
1e79 ADPATP synthase subunit alpha, mitochondrial / 0.664
1e79 ADPATP synthase subunit beta, mitochondrial 3.6.3.14 0.664
2fsn ADPArchaeal actin homolog / 0.664
3b1x GNPFerrous iron transport protein B / 0.664
4h3q ANPMitogen-activated protein kinase 1 2.7.11.24 0.664
4iaz ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.664
4cei ANPATP-dependent helicase/deoxyribonuclease subunit B 3.1 0.663
4cki ADNProto-oncogene tyrosine-protein kinase receptor Ret 2.7.10.1 0.662
4ckj ADNProto-oncogene tyrosine-protein kinase receptor Ret 2.7.10.1 0.662
4ifc ADPSerine/threonine-protein kinase PRP4 homolog 2.7.11.1 0.662
4o4d ATPKinase / 0.662
4ocp ADPN-acetylhexosamine 1-kinase 2.7.1.162 0.662
3t99 ADPInositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2 / 0.661
4crs AGSSerine/threonine-protein kinase N2 2.7.11.13 0.661
1mp8 ADPFocal adhesion kinase 1 2.7.10.2 0.660
1r89 CTPCCA-adding enzyme 2.7.7.72 0.660
2qo9 ANPEphrin type-A receptor 3 2.7.10.1 0.660
2itx ANPEpidermal growth factor receptor 2.7.10.1 0.659
4oac ADPProtein BRASSINOSTEROID INSENSITIVE 1 2.7.10.1 0.659
1ir3 ANPInsulin receptor 2.7.10.1 0.658
1khe GCPPhosphoenolpyruvate carboxykinase, cytosolic [GTP] 4.1.1.32 0.658
4c5c ATPD-alanine--D-alanine ligase B 6.3.2.4 0.658
4ib3 ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.656
4l9w GNPGTPase HRas / 0.656
4wbb ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.656
1bmf ADPATP synthase subunit alpha, mitochondrial / 0.655
1bmf ADPATP synthase subunit beta, mitochondrial 3.6.3.14 0.655
1rfu ADPPyridoxal kinase 2.7.1.35 0.655
3tso GNPRas-related protein Rab-25 / 0.655
3g6w GTPUracil phosphoribosyltransferase 2.4.2.9 0.654
3gub GUBDeath-associated protein kinase 1 2.7.11.1 0.654
4yhj AN2G protein-coupled receptor kinase 4 2.7.11.16 0.654
2x3j ATPAcsD / 0.653
3a8w ATPProtein kinase C iota type 2.7.11.13 0.653
3fvq ATPFe(3+) ions import ATP-binding protein FbpC / 0.653
4ix5 ANPUncharacterized protein / 0.653
4pl3 ADPSerine/threonine-protein kinase/endoribonuclease IRE1 2.7.11.1 0.653
5iqb GNPBifunctional AAC/APH 2.3.1 0.653
3dqw AGSProto-oncogene tyrosine-protein kinase Src 2.7.10.2 0.652
3mia ANPCyclin-dependent kinase 9 2.7.11.22 0.652
3ort AGSSerine/threonine protein kinase / 0.652
3wnz ADPAlanine--anticapsin ligase / 0.652
4lv8 ADPRhoptry protein 5 C / 0.652
5iqg GDPBifunctional AAC/APH 2.3.1 0.652
2cls GTPRho-related GTP-binding protein Rho6 / 0.651
4g0n GNPGTPase HRas / 0.651