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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
1ake AP5 Adenylate kinase

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity
Align
1ake AP5Adenylate kinase / 1.231
1e4v AP5Adenylate kinase / 1.060
4x8o AP5Adenylate kinase / 1.049
3hpq AP5Adenylate kinase / 1.014
4qbh AP5Adenylate kinase / 1.005
3hpr AP5Adenylate kinase / 0.999
2eck ADPAdenylate kinase / 0.971
4jlo ADPAdenylate kinase / 0.889
4cf7 ADPAdenylate kinase / 0.866
4qbi AP5Adenylate kinase / 0.866
4ike ADPAdenylate kinase / 0.863
1ank ANPAdenylate kinase / 0.862
4jky ADPAdenylate kinase / 0.862
4jl5 ADPAdenylate kinase / 0.850
3cx6 GDPGuanine nucleotide-binding protein subunit alpha-13 / 0.845
4qm6 GTPMetallophosphoesterase / 0.843
2xtz GSPGuanine nucleotide-binding protein alpha-1 subunit / 0.840
1got GDPGuanine nucleotide-binding protein G(t) subunit alpha-1 / 0.831
3aky AP5Adenylate kinase / 0.831
4o2l GTPGTP-binding protein Rheb / 0.828
4jld ADPAdenylate kinase / 0.827
4jl6 ADPAdenylate kinase / 0.825
1s3g AP5Adenylate kinase / 0.824
2rgx AP5Adenylate kinase / 0.824
4mkf AP5Adenylate kinase / 0.819
4pan GDPGuanine nucleotide-binding protein G(i) subunit alpha-1 / 0.819
4o25 GTPGTP-binding protein Rheb / 0.813
2fna ADPUncharacterized protein / 0.807
1zcb GDPGuanine nucleotide-binding protein subunit alpha-13 / 0.806
4dxa GSPRas-related protein Rap-1b / 0.806
1l8q ADPChromosomal replication initiator protein DnaA / 0.804
3m0e ATPTranscriptional regulator (NtrC family) / 0.804
1fnn ADPORC1-type DNA replication protein / 0.802
1n6l GTPRas-related protein Rab-5A / 0.801
4mkh AP5Adenylate kinase / 0.800
3onw GDPGuanine nucleotide-binding protein G(i) subunit alpha-1 / 0.798
2osb AP5Adenylate kinase / 0.790
4k81 GTPGTPase HRas / 0.790
3tlx ADPAdenylate kinase 2 / 0.789
4o2r GDPGTP-binding protein Rheb / 0.789
3lbh GNPGTPase HRas / 0.786
4w5j AP5Adenylate kinase / 0.785
4tl7 ATPCircadian clock protein kinase KaiC 2.7.11.1 0.783
1cxz GSPTransforming protein RhoA / 0.782
1f5n GNPGuanylate-binding protein 1 / 0.782
2ce2 GDPGTPase HRas / 0.782
3law GNPRas-related protein Rab-7a / 0.782
1a2b GSPTransforming protein RhoA / 0.781
3ums GDPGuanine nucleotide-binding protein G(i) subunit alpha-1 / 0.781
4pao GSPGuanine nucleotide-binding protein G(i) subunit alpha-1 / 0.781
1w5t ANPORC1-type DNA replication protein 2 / 0.778
1p3j AP5Adenylate kinase / 0.776
4jsy GTPMetallophosphoesterase / 0.776
5c46 GSPRas-related protein Rab-11A / 0.776
1ytm ATPPhosphoenolpyruvate carboxykinase (ATP) / 0.775
1z0d GDPRas-related protein Rab-5C / 0.775
3r9i ADPSeptum site-determining protein MinD / 0.775
1in5 ADPHolliday junction ATP-dependent DNA helicase RuvB / 0.774
2c9c ATPPsp operon transcriptional activator / 0.773
4xoi GTPTransforming protein RhoA / 0.773
1cs4 GSPGuanine nucleotide-binding protein G(s) subunit alpha isoforms short / 0.772
1e4y AP5Adenylate kinase / 0.772
2g0n GDPRas-related C3 botulinum toxin substrate 3 / 0.772
2gks ADPProbable bifunctional SAT/APS kinase 2.7.1.25 0.769
3tkl GTPRas-related protein Rab-1A / 0.768
1wdt GTPElongation factor G (EF-G-2) / 0.766
4qnr ATPPsp operon transcriptional activator / 0.766
4dso GSPGTPase KRas / 0.765
2pg2 ADPKinesin-like protein KIF11 / 0.764
2x7e ADPKinesin-like protein KIF11 / 0.764
3kz1 GSPTransforming protein RhoA / 0.764
4asu ADPATP synthase subunit alpha, mitochondrial / 0.764
4cym GCPRas-related protein Rab-32 / 0.763
1fmw ATPMyosin-2 heavy chain / 0.761
1h65 GDPTranslocase of chloroplast 34 3.6.5 0.761
3b1x GNPFerrous iron transport protein B / 0.760
3l9h ADPKinesin-like protein KIF11 / 0.760
5k5z ANPUncharacterized protein / 0.760
1w0k ADPATP synthase subunit alpha, mitochondrial / 0.759
1w0k ADPATP synthase subunit beta, mitochondrial 3.6.3.14 0.759
2fah GDPPhosphoenolpyruvate carboxykinase [GTP], mitochondrial 4.1.1.32 0.759
1e96 GTPRas-related C3 botulinum toxin substrate 1 / 0.758
2zpa ADPtRNA(Met) cytidine acetyltransferase TmcA / 0.758
1gia GSPGuanine nucleotide-binding protein G(i) subunit alpha-1 / 0.757
1xmv ADPProtein RecA / 0.757
2ic5 GDPRas-related C3 botulinum toxin substrate 3 / 0.757
2olq ATPPhosphoenolpyruvate carboxykinase (ATP) / 0.757
4g0n GNPGTPase HRas / 0.757
2x2r ADPKinesin-like protein KIF11 / 0.756
1t91 GTPRas-related protein Rab-7a / 0.755
2dwp ACP6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 2.7.1.105 0.755
4tl8 AGSCircadian clock protein kinase KaiC 2.7.11.1 0.755
4tlc AGSCircadian clock protein kinase KaiC 2.7.11.1 0.755
1q3h ANPCystic fibrosis transmembrane conductance regulator / 0.753
3tqc ADPPantothenate kinase / 0.753
4lhw GNPRas-related protein Rab-8A / 0.753
4tl9 AGSCircadian clock protein kinase KaiC 2.7.11.1 0.753
4tld AGSCircadian clock protein kinase KaiC 2.7.11.1 0.753
1z6t ADPApoptotic protease-activating factor 1 / 0.752
2c96 ATPPsp operon transcriptional activator / 0.752
4q02 GDPGTPase KRas / 0.752
1gwn GTPRho-related GTP-binding protein RhoE / 0.751
1p3d ANPUDP-N-acetylmuramate--L-alanine ligase 6.3.2.8 0.751
3hu3 AGSTransitional endoplasmic reticulum ATPase 3.6.4.6 0.751
4ko8 AGSTransitional endoplasmic reticulum ATPase 3.6.4.6 0.751
4tla ADPCircadian clock protein kinase KaiC 2.7.11.1 0.751
3bbp GTPRas-related protein Rab-6A / 0.750
1xef ATPAlpha-hemolysin translocation ATP-binding protein HlyB / 0.748
3wyg GTPGTP-binding nuclear protein GSP1/CNR1 / 0.748
4mkg AP5Adenylate kinase / 0.748
4qxa GTPRas-related protein Rab-9A / 0.748
4dvg GSPRho family GTPase / 0.747
2fg5 GNPRas-related protein Rab-31 / 0.746
2y65 ADPKinesin heavy chain / 0.744
3bos CDPRegulatory inactivation of DnaA Hda protein / 0.744
1u0h GSPGuanine nucleotide-binding protein G(s) subunit alpha isoforms short / 0.743
4tl6 ANPCircadian clock protein kinase KaiC 2.7.11.1 0.742
1oix GDPRas-related protein Rab-11A / 0.741
1wbb ADPDNA mismatch repair protein MutS / 0.741
2hf8 GSPProbable hydrogenase nickel incorporation protein HypB / 0.741
2rgg GNPGTPase HRas / 0.741
2zts ADPUncharacterized protein / 0.741
3c41 ANPAmino acid ABC transporter / 0.740
1w5t ADPORC1-type DNA replication protein 2 / 0.739
2j0v GDPRac-like GTP-binding protein ARAC7 / 0.739
3kuc GDPRas-related protein Rap-1A / 0.739
4mit GTPRho-related protein racC / 0.739
4yer ADPAntibiotic ABC transporter, ATP-binding protein, putative / 0.739
1gil GSPGuanine nucleotide-binding protein G(i) subunit alpha-1 / 0.738
4ihq ADPConserved Archaeal protein / 0.738
4lrw GDPGTPase KRas / 0.738
4nh0 ATPESX secretion system protein EccC / 0.738
1p9w ANPType II secretion system protein E / 0.736
3rab GNPRas-related protein Rab-3A / 0.735
3tso GNPRas-related protein Rab-25 / 0.735
4tle AGSCircadian clock protein kinase KaiC 2.7.11.1 0.735
4xvr GNPGTPase HRas / 0.735
1k6m AGS6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 1 2.7.1.105 0.734
1ii6 ADPKinesin-like protein KIF11 / 0.733
2bbw GP5Adenylate kinase 4, mitochondrial / 0.733
2xae ADPKinesin-like protein KIF11 / 0.733
4xsg GSPTransforming protein RhoA / 0.733
4z54 GDPNeuronal-specific septin-3 / 0.733
1bof GDPGuanine nucleotide-binding protein G(i) subunit alpha-1 / 0.732
3c15 GSPGuanine nucleotide-binding protein G(s) subunit alpha isoforms short / 0.732
2cl6 CAGGTPase HRas / 0.731
3zvm ADPBifunctional polynucleotide phosphatase/kinase 2.7.1.78 0.731
4tlb AGSCircadian clock protein kinase KaiC 2.7.11.1 0.731
4uj5 GNPRas-related protein Rab-11A / 0.731
2q2z ADPKinesin-like protein KIF11 / 0.730
2jiz ADPATP synthase subunit beta, mitochondrial 3.6.3.14 0.729
2jj2 ADPATP synthase subunit alpha, mitochondrial / 0.729
2jj2 ADPATP synthase subunit beta, mitochondrial 3.6.3.14 0.729
4ww4 ADPRuvB-like helicase / 0.727
1bif AGS6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 4 2.7.1.105 0.725
2olr ATPPhosphoenolpyruvate carboxykinase (ATP) / 0.725
3fmo ADPATP-dependent RNA helicase DDX19B 3.6.4.13 0.725
3k3b ADPKinesin-like protein KIF11 / 0.724
1lfd GNPGTPase HRas / 0.723
4x8l AP5Adenylate kinase / 0.723
1uad GNPRas-related protein Ral-A / 0.722
1zbd GTPRas-related protein Rab-3A / 0.722
2aky AP5Adenylate kinase / 0.722
3myk ANPMyosin-2 heavy chain / 0.722
4pjk ADPMyosin-2 heavy chain / 0.722
1bmf ADPATP synthase subunit alpha, mitochondrial / 0.721
1bmf ADPATP synthase subunit beta, mitochondrial 3.6.3.14 0.721
3adc ANPL-seryl-tRNA(Sec) kinase 2.7.1.164 0.721
5aun ADPIron-sulfur cluster carrier protein / 0.721
1x1r GDPRas-related protein M-Ras / 0.720
2eu8 AP5Adenylate kinase / 0.720
2gvd GSPGuanine nucleotide-binding protein G(s) subunit alpha isoforms short / 0.720
4q03 GDPGTPase KRas / 0.720
4v02 ATPSite-determining protein / 0.720
4pfp ADPUnconventional myosin-VI / 0.719
4xvu ATPATPase GET3 / 0.719
3k9l GNPGTPase HRas / 0.718
3kko GNPRas-related protein M-Ras / 0.718
3l1c ADPProtein claret segregational / 0.718
4m0l GDPTranslation initiation factor 2 subunit gamma / 0.718
1m7b GTPRho-related GTP-binding protein RhoE / 0.717
2fgj ATPAlpha-hemolysin translocation ATP-binding protein HlyB / 0.717
4idp GNPAtlastin-1 3.6.5 0.717
1zc4 GNPRas-related protein Ral-A / 0.716
3ddc GNPGTPase HRas / 0.716
3dt4 GTPPhosphoenolpyruvate carboxykinase, cytosolic [GTP] 4.1.1.32 0.716
1e79 ADPATP synthase subunit alpha, mitochondrial / 0.715
1e79 ADPATP synthase subunit beta, mitochondrial 3.6.3.14 0.715
4qos ADPPsp operon transcriptional activator / 0.715
2zet GTPRas-related protein Rab-27B / 0.714
3bb3 GDPTranslocase of chloroplast 33, chloroplastic 3.6.5 0.713
4hdq GNPRas-related protein Rap-1b / 0.713
1mmg AGSMyosin-2 heavy chain / 0.712
1ow3 GDPTransforming protein RhoA / 0.712
1sdm ADPKinesin heavy chain-like protein / 0.712
3tnf GNPRas-related protein Rab-8A / 0.712
1mma ADPMyosin-2 heavy chain / 0.711
1xts GTPGTP-binding protein Rheb / 0.711
2bc9 GNPGuanylate-binding protein 1 / 0.711
2c9o ADPRuvB-like 1 3.6.4.12 0.711
4pk4 ADPUnconventional myosin-VI / 0.711
1g16 GDPRas-related protein SEC4 / 0.710
1sq5 ADPPantothenate kinase 2.7.1.33 0.710
4kvg GTPRas-related protein Rap-1A / 0.710
1b7t ADPMyosin heavy chain, striated muscle / 0.709
1jx2 ADPMyosin-2 heavy chain / 0.709
4r43 GDPPhosphoenolpyruvate carboxykinase [GTP] / 0.709
4yqf GDPSeptin-9 / 0.709
3qe0 GDPGuanine nucleotide-binding protein G(i) subunit alpha-1 / 0.708
4ncl GDPEukaryotic translation initiation factor 5B / 0.708
4pjj ADPUnconventional myosin-VI / 0.708
3thy ADPDNA mismatch repair protein Msh2 / 0.707
2qaj AP5Adenylate kinase / 0.706
1fp6 ADPNitrogenase iron protein 1 1.18.6.1 0.704
2bku GTPGTP-binding nuclear protein Ran / 0.704
2fju GSPRas-related C3 botulinum toxin substrate 1 / 0.704
2rge GNPGTPase HRas / 0.704
3oeh ANPATP synthase subunit alpha, mitochondrial / 0.704
1njf ADPDNA polymerase III subunit tau 2.7.7.7 0.703
2gil GTPRas-related protein Rab-6A / 0.703
2qtv GNPSmall COPII coat GTPase SAR1 3.6.5 0.703
3l8y GNPGTPase HRas / 0.703
1zc3 GNPRas-related protein Ral-A / 0.701
2oo7 AP5Adenylate kinase / 0.701
3zl8 ADPUDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase / 0.701
4cvl ACPUDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase / 0.701
5l3s GNPSignal recognition particle receptor FtsY / 0.701
2ck3 ANPATP synthase subunit alpha, mitochondrial / 0.699
2ck3 ANPATP synthase subunit beta, mitochondrial 3.6.3.14 0.699
3pcr GTPADP-ribosylation factor 6 / 0.699
3sbe GNPRas-related C3 botulinum toxin substrate 1 / 0.698
2fl2 ADPKinesin-like protein KIF11 / 0.697
4c0b ATPmRNA cleavage and polyadenylation factor CLP1 / 0.697
4d0l GSPRas-related protein Rab-11A / 0.697
4js0 GNPCell division control protein 42 homolog / 0.697
5i67 GDPPhosphoenolpyruvate carboxykinase [GTP] / 0.697
2hld ANPATP synthase subunit alpha, mitochondrial / 0.695
2hld ANPATP synthase subunit beta, mitochondrial 3.6.3.14 0.695
4gzl GNPRas-related C3 botulinum toxin substrate 1 / 0.694
2v7q ADPATP synthase subunit beta, mitochondrial 3.6.3.14 0.693
4c30 ANPDNA helicase / 0.693
4wou GDPPhosphoenolpyruvate carboxykinase [GTP] / 0.693
2db3 ANPATP-dependent RNA helicase vasa, isoform A 3.6.4.13 0.692
1aq2 ATPPhosphoenolpyruvate carboxykinase (ATP) / 0.691
1ayl ATPPhosphoenolpyruvate carboxykinase (ATP) / 0.691
4hse ADPChaperone protein ClpB / 0.691
4lhv GDPRas-related protein Rab-8A / 0.691
4lpk GDPGTPase KRas / 0.690
4ohx ADPProtein clpf-1 / 0.690
2ffq GSPRas-related protein Rab-6B / 0.689
1w7k ADPDihydrofolate synthase/folylpolyglutamate synthase 6.3.2.12 0.688
3w3z GTPGTP-binding nuclear protein Ran / 0.688
1h8h ADPATP synthase subunit alpha, mitochondrial / 0.687
1h8h ADPATP synthase subunit beta, mitochondrial 3.6.3.14 0.687
3oes GNPGTPase RhebL1 / 0.687
4xjx ATPType I restriction enzyme EcoR124II R protein 3.1.21.3 0.687
1um8 ADPATP-dependent Clp protease ATP-binding subunit ClpX / 0.686
4hdo GNPRas-related protein Rap-1b / 0.686
4ohv ANPProtein clpf-1 / 0.686
5d3q GDPDynamin-1 3.6.5.5 0.686
5dif GNPGTP-binding nuclear protein Ran / 0.686
3rsl GNPGTPase HRas / 0.685
1sxj ADPReplication factor C subunit 5 / 0.684
3rs0 GNPGTPase HRas / 0.684
1xtr GNPGTP-binding protein Rheb / 0.683
3x1w GDPRas-related protein Rap-1b / 0.683
5ftc ADPTPR domain protein / 0.683
5hpy GDPTransforming protein RhoA / 0.683
1nly AGSCag alpha / 0.682
2cls GTPRho-related GTP-binding protein Rho6 / 0.681
2j0s ANPEukaryotic initiation factor 4A-III 3.6.4.13 0.681
2fe4 GDPRas-related protein Rab-6B / 0.680
1xkv ATPPhosphoenolpyruvate carboxykinase (ATP) / 0.679
3qcz ANPDihydrofolate synthase/folylpolyglutamate synthase / 0.679
1z2c GNPRho-related GTP-binding protein RhoC / 0.678
4zca ADPKinesin-like protein KIF11 / 0.678
1xd9 ADPNitrogenase iron protein 1 1.18.6.1 0.677
3akd CDPCytidylate kinase / 0.677
3r9x GNPGTPase Era / 0.677
4typ AP5Adenylate kinase / 0.676
1w5s ADPORC1-type DNA replication protein 2 / 0.675
2ov2 GCPRas-related C3 botulinum toxin substrate 3 / 0.675
3oiv GNPGTPase HRas / 0.675
3i3s GNPGTPase HRas / 0.674
3k8y GNPGTPase HRas / 0.674
2py7 ATPPhosphoenolpyruvate carboxykinase (ATP) / 0.673
1xms ANPProtein RecA / 0.672
2ic5 GNPRas-related C3 botulinum toxin substrate 3 / 0.672
2qf2 GDPPhosphoenolpyruvate carboxykinase, cytosolic [GTP] 4.1.1.32 0.672
3hqd ANPKinesin-like protein KIF11 / 0.672
5fl3 ADPPili retraction protein PilT / 0.672
3th5 GNPRas-related C3 botulinum toxin substrate 1 / 0.670
1e0j ANPDNA primase/helicase 2.7.7 0.669
1mh1 GNPRas-related C3 botulinum toxin substrate 1 / 0.669
2jj1 ADPATP synthase subunit alpha, mitochondrial / 0.669
2jj1 ADPATP synthase subunit beta, mitochondrial 3.6.3.14 0.669
3sbd GNPRas-related C3 botulinum toxin substrate 1 / 0.669
4cei ANPATP-dependent helicase/deoxyribonuclease subunit B 3.1 0.669
1e79 ATPATP synthase subunit alpha, mitochondrial / 0.668
1e79 ATPATP synthase subunit beta, mitochondrial 3.6.3.14 0.668
1g17 GNPRas-related protein SEC4 / 0.668
1tu3 GNPRas-related protein Rab-5A / 0.668
2r9v ATPATP synthase subunit alpha / 0.668
4dsu GDPGTPase KRas / 0.668
3af0 GDPPantothenate kinase 2.7.1.33 0.667
4iok ADPFormate--tetrahydrofolate ligase / 0.667
3vx4 ATPPutative ABC transporter, ATP-binding protein ComA / 0.666
3fvq ATPFe(3+) ions import ATP-binding protein FbpC / 0.665
1e1q ADPATP synthase subunit beta, mitochondrial 3.6.3.14 0.663
1gqy ACPUDP-N-acetylmuramate--L-alanine ligase 6.3.2.8 0.663
2rgb GNPGTPase HRas / 0.663
1os1 ATPPhosphoenolpyruvate carboxykinase (ATP) / 0.662
3fkq ATPNtrC-like two-domain protein / 0.662
1okk GCPSignal recognition particle protein / 0.661
1okk GCPSignal recognition particle receptor FtsY / 0.661
2rgc GNPGTPase HRas / 0.661
3oiu GNPGTPase HRas / 0.661
5irn ADPNucleotide binding oligomerization domain containing 2 / 0.661
2c5l GTPGTPase HRas / 0.660
3sop GDPNeuronal-specific septin-3 / 0.660
3v4f GNPGTPase HRas / 0.660
3zia ATPATP synthase subunit alpha, mitochondrial / 0.660
1im2 ADPATP-dependent protease ATPase subunit HslU / 0.659
1khb GCPPhosphoenolpyruvate carboxykinase, cytosolic [GTP] 4.1.1.32 0.659
1ny5 ADPTranscriptional regulator (NtrC family) / 0.659
4nyj GNPGTPase HRas / 0.659
2dft ADPShikimate kinase 2.7.1.71 0.658
4oi4 ATPmRNA cleavage and polyadenylation factor CLP1 / 0.658
1dvr ATFAdenylate kinase / 0.657
4kln AGSTransitional endoplasmic reticulum ATPase 3.6.4.6 0.657
3lbi GNPGTPase HRas / 0.656
1zio AP5Adenylate kinase / 0.655
2x3j ATPAcsD / 0.655
3kkq GDPRas-related protein M-Ras / 0.655
3sqw ANPATP-dependent RNA helicase MSS116, mitochondrial 3.6.4.13 0.655
2jj1 ANPATP synthase subunit alpha, mitochondrial / 0.654
3q9l ATPSeptum site-determining protein MinD / 0.654
4gp6 ADPMetallophosphoesterase / 0.654
4idn GNPAtlastin-1 3.6.5 0.654
4xvq GNPGTPase HRas / 0.653
4db1 ANPMyosin-7 / 0.652
4pki ATPActin, alpha skeletal muscle / 0.652
3a6p GTPGTP-binding nuclear protein Ran / 0.651
1z0f GDPRas-related protein Rab-14 / 0.650
4rz3 ADPSite-determining protein / 0.650