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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
2pui ADP Methylthioribose kinase 2.7.1.100

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
2pui ADPMethylthioribose kinase 2.7.1.100 1.039
2pul ACPMethylthioribose kinase 2.7.1.100 0.920
2pup ADPMethylthioribose kinase 2.7.1.100 0.909
2olc ADPMethylthioribose kinase 2.7.1.100 0.899
2pyw ADPMethylthioribose kinase 2.7.1.100 0.883
2pun ACPMethylthioribose kinase 2.7.1.100 0.866
2b9f ADPMitogen-activated protein kinase FUS3 2.7.11.24 0.856
2b9j ADPMitogen-activated protein kinase FUS3 2.7.11.24 0.844
1mq4 ADPAurora kinase A 2.7.11.1 0.835
4dee ADPAurora kinase A 2.7.11.1 0.821
3bu5 ATPInsulin receptor 2.7.10.1 0.805
1o6y ACPSerine/threonine-protein kinase PknB 2.7.11.1 0.801
3c50 ADPRhodopsin kinase / 0.797
3dfc ANPDeath-associated protein kinase 1 2.7.11.1 0.795
4aw1 ATP3-phosphoinositide-dependent protein kinase 1 2.7.11.1 0.795
3c4z ADPRhodopsin kinase / 0.792
4xlv ACPInsulin receptor 2.7.10.1 0.790
5dt3 ATPAurora kinase A 2.7.11.1 0.787
3x2u ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.783
4k33 ACPFibroblast growth factor receptor 3 2.7.10.1 0.783
3gu6 ADPDeath-associated protein kinase 1 2.7.11.1 0.782
4ceg ADPAurora kinase A 2.7.11.1 0.782
4r8q ADPMitotic checkpoint serine/threonine-protein kinase BUB1 2.7.11.1 0.782
1daw ANPCasein kinase II subunit alpha 2.7.11.1 0.781
4utd ACPAurora kinase A 2.7.11.1 0.781
4iai ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.780
1phk ATPPhosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform 2.7.11.19 0.778
1j7u ANPAminoglycoside 3'-phosphotransferase 2.7.1.95 0.776
4y0x ADPSerine/threonine-protein kinase PknG 2.7.11.1 0.776
1zth ADPRIO-type serine/threonine-protein kinase Rio1 2.7.11.1 0.775
5dos ATPAurora kinase A 2.7.11.1 0.775
4nm7 ADPGlycogen synthase kinase-3 beta 2.7.11.26 0.770
3rv4 ADPBiotin carboxylase 6.3.4.14 0.768
4y12 AGSSerine/threonine-protein kinase PknG 2.7.11.1 0.768
3gu4 ANPDeath-associated protein kinase 1 2.7.11.1 0.766
4oav ACP2-5A-dependent ribonuclease 3.1.26 0.766
4uak ADPSerine/threonine-protein kinase MRCK beta 2.7.11.1 0.766
4gyi ADPUncharacterized protein / 0.765
3t8o ATPRhodopsin kinase / 0.764
4i3z ADPCyclin-dependent kinase 2 2.7.11.22 0.764
4xw5 ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.763
1l8t ADPAminoglycoside 3'-phosphotransferase 2.7.1.95 0.762
2xuu ADPDeath-associated protein kinase 1 2.7.11.1 0.762
5cvh ADPCasein kinase II subunit alpha 2.7.11.1 0.761
2w4j ADPDeath-associated protein kinase 1 2.7.11.1 0.758
4oa9 ANPProtein BRASSINOSTEROID INSENSITIVE 1 2.7.10.1 0.758
1tqp ATPRIO-type serine/threonine-protein kinase Rio2 2.7.11.1 0.757
2vqd AP2Biotin carboxylase 6.3.4.14 0.757
3qc9 ADPRhodopsin kinase / 0.757
4lfi GNPCasein kinase II subunit alpha 2.7.11.1 0.757
5dr2 ATPAurora kinase A 2.7.11.1 0.757
2bkk ADPAminoglycoside 3'-phosphotransferase 2.7.1.95 0.756
4qpm ADPMitotic checkpoint serine/threonine-protein kinase BUB1 2.7.11.1 0.755
1tqm ANPRIO-type serine/threonine-protein kinase Rio2 2.7.11.1 0.754
4dh5 ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.754
5dn3 ATPAurora kinase A 2.7.11.1 0.754
1lp4 ANPCasein kinase II subunit alpha 2.7.11.1 0.753
3x2w ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.752
3f5u ANPDeath-associated protein kinase 1 2.7.11.1 0.751
4ej7 ATPAminoglycoside 3'-phosphotransferase AphA1-IAB / 0.751
4nm5 ADPGlycogen synthase kinase-3 beta 2.7.11.26 0.751
1j1c ADPGlycogen synthase kinase-3 beta 2.7.11.26 0.750
1jkl ANPDeath-associated protein kinase 1 2.7.11.1 0.748
4krc AGSCyclin-dependent protein kinase PHO85 2.7.11.22 0.748
3t9e ADPInositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2 / 0.747
1pyx ANPGlycogen synthase kinase-3 beta 2.7.11.26 0.746
2j9g ADPBiotin carboxylase 6.3.4.14 0.746
3att ATPPutative aminoglycoside phosphotransferase 2.7.1 0.745
1zp9 ATPRIO-type serine/threonine-protein kinase Rio1 2.7.11.1 0.744
3nie ANPMitogen-activated protein kinase / 0.744
2b9i ADPMitogen-activated protein kinase FUS3 2.7.11.24 0.743
1zar ADPRIO-type serine/threonine-protein kinase Rio2 2.7.11.1 0.740
3akl ADPSerine/threonine-protein kinase CtkA 2.7.11.1 0.740
2dwb ANPAurora kinase A 2.7.11.1 0.739
3c4w ATPRhodopsin kinase / 0.738
4mwh ATPCasein kinase II subunit alpha 2.7.11.1 0.738
1j7l ADPAminoglycoside 3'-phosphotransferase 2.7.1.95 0.737
3w8q AGSDual specificity mitogen-activated protein kinase kinase 1 2.7.12.2 0.737
4fmq ANPMitogen-activated protein kinase 1 2.7.11.24 0.736
5drd ATPAurora kinase A 2.7.11.1 0.734
4iaf ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.733
3gu7 ADPDeath-associated protein kinase 1 2.7.11.1 0.732
4btj ADPTau-tubulin kinase 1 2.7.11.1 0.731
4ysj ADPCalmodulin-like domain protein kinase / 0.729
4gvj ADPNon-receptor tyrosine-protein kinase TYK2 2.7.10.2 0.728
4ork GDPBifunctional AAC/APH 2.3.1 0.728
3akk ADPSerine/threonine-protein kinase CtkA 2.7.11.1 0.727
4ffr ATPUncharacterized protein / 0.726
2b0q ADPAminoglycoside 3'-phosphotransferase 2.7.1.95 0.725
3x2v ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.725
5e92 ANPTGF-beta receptor type-2 2.7.11.30 0.725
1q8y ADPSerine/threonine-protein kinase SKY1 2.7.11.1 0.724
4bfm ANPMaternal embryonic leucine zipper kinase 2.7.11.1 0.724
4xw6 ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.724
4xw4 ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.723
4iaz ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.722
4o4d ATPKinase / 0.722
4qny ANPMitogen activated protein kinase, putative / 0.722
4fi1 ATPCasein kinase II subunit alpha 2.7.11.1 0.721
5awm ANPStress-activated protein kinase JNK 2.7.11.24 0.721
4ic7 ANPMitogen-activated protein kinase 7 2.7.11.24 0.719
5dt4 ATPAurora kinase A 2.7.11.1 0.718
1q24 ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.716
3t9f ADPInositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2 / 0.715
4wb6 ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.715
5iqb GNPBifunctional AAC/APH 2.3.1 0.715
1m0w ANPGlutathione synthetase 6.3.2.3 0.714
3gu5 ANPDeath-associated protein kinase 1 2.7.11.1 0.714
4f99 ADPCell division cycle 7-related protein kinase 2.7.11.1 0.714
1ol6 ATPAurora kinase A 2.7.11.1 0.713
1w2d ADPInositol-trisphosphate 3-kinase A 2.7.1.127 0.713
2w4k ADPDeath-associated protein kinase 1 2.7.11.1 0.712
3fhi ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.712
3nsz ANPCasein kinase II subunit alpha 2.7.11.1 0.711
5dnr ATPAurora kinase A 2.7.11.1 0.711
3ori AGSSerine/threonine protein kinase / 0.710
4nif ANPMitogen-activated protein kinase 1 2.7.11.24 0.710
1j1b ANPGlycogen synthase kinase-3 beta 2.7.11.26 0.709
1cm8 ANPMitogen-activated protein kinase 12 / 0.708
4azw ATPO-antigen chain terminator bifunctional methyltransferase/kinase WbdD / 0.708
1day GNPCasein kinase II subunit alpha 2.7.11.1 0.707
3udz ADPInositol-pentakisphosphate 2-kinase 2.7.1.158 0.707
3fjq ATPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.706
1zao ATPRIO-type serine/threonine-protein kinase Rio2 2.7.11.1 0.705
5iqe GNPBifunctional AAC/APH 2.3.1 0.705
5iqa GNPBifunctional AAC/APH 2.3.1 0.704
5l8k ADPAurora kinase A 2.7.11.1 0.704
4wbb ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.703
4wh2 ADPN-acetylhexosamine 1-kinase 2.7.1.162 0.703
2hen ADPEphrin type-B receptor 2 2.7.10.1 0.702
1o6k ANPRAC-beta serine/threonine-protein kinase 2.7.11.1 0.701
1qmz ATPCyclin-dependent kinase 2 2.7.11.22 0.701
3a99 ANPSerine/threonine-protein kinase pim-1 2.7.11.1 0.701
4dg3 ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.701
2pz5 ACPFibroblast growth factor receptor 2 / 0.700
2py3 ACPFibroblast growth factor receptor 2 / 0.699
4oau ADP2-5A-dependent ribonuclease 3.1.26 0.697
1ig1 ANPDeath-associated protein kinase 1 2.7.11.1 0.696
2x0q ATPAlcaligin biosynthesis protein / 0.696
4f9a ADPCell division cycle 7-related protein kinase 2.7.11.1 0.696
4iad ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.696
4ifc ADPSerine/threonine-protein kinase PRP4 homolog 2.7.11.1 0.696
3dnt ATPSerine/threonine-protein kinase toxin HipA / 0.695
4bn1 ADPAurora kinase A 2.7.11.1 0.695
4lv7 ADPInositol-pentakisphosphate 2-kinase 2.7.1.158 0.695
1mru AGSSerine/threonine-protein kinase PknB 2.7.11.1 0.694
3q1k ADPD-alanine--D-alanine ligase A 6.3.2.4 0.694
4iak ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.694
2ijm ADPFocal adhesion kinase 1 2.7.10.2 0.693
4axf ANPInositol-pentakisphosphate 2-kinase 2.7.1.158 0.693
2rio ADPSerine/threonine-protein kinase/endoribonuclease IRE1 2.7.11.1 0.692
3dqw AGSProto-oncogene tyrosine-protein kinase Src 2.7.10.2 0.691
1xr1 ANPSerine/threonine-protein kinase pim-1 2.7.11.1 0.690
1z2p ACPInositol-tetrakisphosphate 1-kinase 2.7.1.134 0.690
2y9q ANPMitogen-activated protein kinase 1 2.7.11.24 0.690
4bl1 ANPMaternal embryonic leucine zipper kinase 2.7.11.1 0.690
3tm0 ANPAminoglycoside 3'-phosphotransferase 2.7.1.95 0.689
4aqk ADPInositol-pentakisphosphate 2-kinase 2.7.1.158 0.689
1t36 ADPCarbamoyl-phosphate synthase large chain / 0.688
2qcs ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.688
3a7j ADPSerine/threonine-protein kinase 24 2.7.11.1 0.688
3niz ADPCdc2-like CDK2/CDC28 like protein kinase / 0.688
3t99 ADPInositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2 / 0.688
4h3q ANPMitogen-activated protein kinase 1 2.7.11.24 0.688
1u54 ACPActivated CDC42 kinase 1 / 0.687
3llt ANPProtein serine/threonine kinase-1 / 0.687
4c3r ACPAurora kinase A 2.7.11.1 0.687
4o4e ATPKinase / 0.687
4o4f ATPKinase / 0.687
4ii5 ADPCyclin-dependent kinase 2 2.7.11.22 0.686
3g8c ADPBiotin carboxylase 6.3.4.14 0.685
4iay ADPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.685
4n57 ADPAPH(2'')-Id / 0.685
2ijm ATPFocal adhesion kinase 1 2.7.10.2 0.684
4eoo ATPCyclin-dependent kinase 2 2.7.11.22 0.684
4ffm ADPUncharacterized protein / 0.684
2pzp ACPFibroblast growth factor receptor 2 / 0.682
4q5h ANPProtein kinase OspG 2.7 0.682
5iqi GNPBifunctional AAC/APH 2.3.1 0.682
4dh7 ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.679
1i44 ACPInsulin receptor 2.7.10.1 0.678
3eth ATPN5-carboxyaminoimidazole ribonucleotide synthase / 0.678
3i12 ADPD-alanine--D-alanine ligase A 6.3.2.4 0.678
4iir ANPSerine/threonine-protein kinase PRP4 homolog 2.7.11.1 0.678
1q99 ANPSerine/threonine-protein kinase SKY1 2.7.11.1 0.676
1u5r ATPSerine/threonine-protein kinase TAO2 2.7.11.1 0.676
3k5h ATPPhosphoribosyl-aminoimidazole carboxylase / 0.676
3sqw ANPATP-dependent RNA helicase MSS116, mitochondrial 3.6.4.13 0.675
2qo9 ANPEphrin type-A receptor 3 2.7.10.1 0.674
3mfs ANPPeripheral plasma membrane protein CASK 2.7.11.1 0.674
3tdw GDPGentamicin resistance protein / 0.674
5iqf GDPBifunctional AAC/APH 2.3.1 0.674
1jkk ANPDeath-associated protein kinase 1 2.7.11.1 0.673
2cjm ATPCyclin-dependent kinase 2 2.7.11.22 0.673
2xrw ANPMitogen-activated protein kinase 8 2.7.11.24 0.673
3g8d ADPBiotin carboxylase 6.3.4.14 0.673
3i5x ANPATP-dependent RNA helicase MSS116, mitochondrial 3.6.4.13 0.673
3tw6 ADPPyruvate carboxylase / 0.673
4fl1 ANPTyrosine-protein kinase SYK 2.7.10.2 0.673
4jr7 GNPCasein kinase II subunit alpha 2.7.11.1 0.673
4hpt ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.672
5cvf ATPCasein kinase II subunit alpha 2.7.11.1 0.672
1ny3 ADPMAP kinase-activated protein kinase 2 2.7.11.1 0.671
2pml ANPUncharacterized protein / 0.671
2qoq ANPEphrin type-A receptor 3 2.7.10.1 0.671
2vuw 5IDSerine/threonine-protein kinase haspin 2.7.11.1 0.671
3g6w GTPUracil phosphoribosyltransferase 2.4.2.9 0.671
4dn5 AGSMitogen-activated protein kinase kinase kinase 14 2.7.11.25 0.671
5iqd GNPBifunctional AAC/APH 2.3.1 0.671
2xan ANPInositol-pentakisphosphate 2-kinase 2.7.1.158 0.670
3orl AGSSerine/threonine protein kinase / 0.670
3c4x ATPRhodopsin kinase / 0.669
1ol5 ADPAurora kinase A 2.7.11.1 0.668
4ekk ANPRAC-alpha serine/threonine-protein kinase 2.7.11.1 0.668
3tpt ADPSerine/threonine-protein kinase toxin HipA / 0.667
4ffl ADPUncharacterized protein / 0.667
3g51 ANPRibosomal protein S6 kinase alpha-3 2.7.11.1 0.666
3tdv GDPGentamicin resistance protein / 0.665
2j0l ANPFocal adhesion kinase 1 2.7.10.2 0.664
3wo1 ADPAlanine--anticapsin ligase / 0.664
4btj ATPTau-tubulin kinase 1 2.7.11.1 0.664
4zgn ATPCell division cycle protein 123 / 0.664
2phk ATPPhosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform 2.7.11.19 0.663
3cly ACPFibroblast growth factor receptor 2 / 0.663
4ckj ADNProto-oncogene tyrosine-protein kinase receptor Ret 2.7.10.1 0.663
4iac ACPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.663
1ir3 ANPInsulin receptor 2.7.10.1 0.662
1z2n ADPInositol-tetrakisphosphate 1-kinase 2.7.1.134 0.662
3idb ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.662
3vjo ANPEpidermal growth factor receptor 2.7.10.1 0.662
3a8w ATPProtein kinase C iota type 2.7.11.13 0.661
4ki0 ANPMaltose/maltodextrin import ATP-binding protein MalK / 0.661
1fmw ATPMyosin-2 heavy chain / 0.660
2a19 ANPInterferon-induced, double-stranded RNA-activated protein kinase 2.7.11.1 0.660
3o7l ANPcAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.660
3wow ANPCasein kinase II subunit alpha 2.7.11.1 0.659
4pl3 ADPSerine/threonine-protein kinase/endoribonuclease IRE1 2.7.11.1 0.659
5ce3 ADPProtein kinase YopO / 0.659
1pkg ADPMast/stem cell growth factor receptor Kit 2.7.10.1 0.658
4fg8 ATPCalcium/calmodulin-dependent protein kinase type 1 2.7.11.17 0.658
3a7h ATPSerine/threonine-protein kinase 24 2.7.11.1 0.657
3a8t ATPAdenylate isopentenyltransferase / 0.657
4fg7 ATPCalcium/calmodulin-dependent protein kinase type 1 2.7.11.17 0.657
4ix5 ANPUncharacterized protein / 0.657
1q97 ATPSerine/threonine-protein kinase SKY1 2.7.11.1 0.656
3ung ADPCRISPR system Cmr subunit Cmr2 / 0.656
1jst ATPCyclin-dependent kinase 2 2.7.11.22 0.655
3agl A03cAMP-dependent protein kinase catalytic subunit alpha 2.7.11.11 0.654
4gt3 ATPMitogen-activated protein kinase 1 2.7.11.24 0.654
3igo ANPCalmodulin-domain protein kinase 1, putative / 0.653
3q5i ANPProtein kinase, putative / 0.653
3wnz ADPAlanine--anticapsin ligase / 0.653
5ckw ANPUncharacterized protein / 0.653
5iqh GNPBifunctional AAC/APH 2.3.1 0.653
5l8j ADPAurora kinase A 2.7.11.1 0.653
4s33 ANPMitogen-activated protein kinase 1 2.7.11.24 0.652
4zs4 ATPMyosin heavy chain kinase A 2.7.11.7 0.652
5l8l ADPAurora kinase A 2.7.11.1 0.652
3fvq ATPFe(3+) ions import ATP-binding protein FbpC / 0.651
4oac ADPProtein BRASSINOSTEROID INSENSITIVE 1 2.7.10.1 0.651
4otp ADPSerine/threonine-protein kinase RIO1 2.7.11.1 0.651
4fl3 ANPTyrosine-protein kinase SYK 2.7.10.2 0.650
4ux9 ANPMitogen-activated protein kinase 8 2.7.11.24 0.650