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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
1fea FAD Trypanothione reductase 1.8.1.12

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity
Align
1fea FADTrypanothione reductase 1.8.1.12 1.378
2tpr FADTrypanothione reductase 1.8.1.12 1.213
1fec FADTrypanothione reductase 1.8.1.12 1.177
1feb FADTrypanothione reductase 1.8.1.12 1.172
2jk6 FADTrypanothione reductase / 1.124
1bzl FADTrypanothione reductase 1.8.1.12 1.113
1typ FADTrypanothione reductase 1.8.1.12 1.110
2wba FADTrypanothione reductase 1.8.1.12 1.101
4nev FADTrypanothione reductase / 1.087
2wow FADTrypanothione reductase / 1.043
4kpr FADThioredoxin reductase 1, cytoplasmic 1.8.1.9 1.024
2wp5 FADTrypanothione reductase / 1.018
1ger FADGlutathione reductase 1.8.1.7 1.006
1ges FADGlutathione reductase 1.8.1.7 1.004
3qfa FADThioredoxin reductase 1, cytoplasmic 1.8.1.9 1.004
1tyt FADTrypanothione reductase 1.8.1.12 0.996
2hqm FADGlutathione reductase 1.8.1.7 0.992
1get FADGlutathione reductase 1.8.1.7 0.991
2r9z FADGlutathione amide reductase / 0.987
3grs FADGlutathione reductase, mitochondrial 1.8.1.7 0.979
2w0h FADTrypanothione reductase / 0.974
2x8g FADThioredoxin glutathione reductase / 0.965
3dgh FADThioredoxin reductase 1, mitochondrial 1.8.1.9 0.962
2cfy FADThioredoxin reductase 1, cytoplasmic 1.8.1.9 0.959
1h6v FADThioredoxin reductase 1, cytoplasmic 1.8.1.9 0.951
3dk9 FADGlutathione reductase, mitochondrial 1.8.1.7 0.938
4gr1 FADGlutathione reductase, mitochondrial 1.8.1.7 0.935
2x8h FADThioredoxin glutathione reductase / 0.933
4j57 FADThioredoxin reductase 2 1.8.1.9 0.916
3ean FADThioredoxin reductase 1, cytoplasmic 1.8.1.9 0.914
2v6o FADThioredoxin glutathione reductase / 0.909
3dgz FADThioredoxin reductase 2, mitochondrial 1.8.1.9 0.908
1gra FADGlutathione reductase, mitochondrial 1.8.1.7 0.905
2yqu FADDihydrolipoyl dehydrogenase / 0.899
1k4q FADGlutathione reductase, mitochondrial 1.8.1.7 0.898
2eq7 FADDihydrolipoyl dehydrogenase / 0.898
2f5z FADDihydrolipoyl dehydrogenase, mitochondrial 1.8.1.4 0.891
2j3n FADThioredoxin reductase 1, cytoplasmic 1.8.1.9 0.889
1gxf FADTrypanothione reductase 1.8.1.12 0.885
3sqp FADGlutathione reductase, mitochondrial 1.8.1.7 0.882
4jdr FADDihydrolipoyl dehydrogenase 1.8.1.4 0.878
3dk4 FADGlutathione reductase, mitochondrial 1.8.1.7 0.877
3lad FADDihydrolipoyl dehydrogenase / 0.874
1zk7 FADMercuric reductase 1.16.1.1 0.866
2zzc FADThioredoxin reductase 1, cytoplasmic 1.8.1.9 0.866
1zx9 FADMercuric reductase 1.16.1.1 0.865
2eq6 FADDihydrolipoyl dehydrogenase / 0.865
2nvk FADThioredoxin reductase 1, mitochondrial 1.8.1.9 0.865
3rnm FADDihydrolipoyl dehydrogenase, mitochondrial 1.8.1.4 0.860
1grb FADGlutathione reductase, mitochondrial 1.8.1.7 0.857
2eq8 FADDihydrolipoyl dehydrogenase / 0.851
4dna FADProbable glutathione reductase / 0.850
1geu FADGlutathione reductase 1.8.1.7 0.849
2qae FADDihydrolipoyl dehydrogenase 1.8.1.4 0.848
3dh9 FADThioredoxin reductase 1, mitochondrial 1.8.1.9 0.845
4j56 FADThioredoxin reductase 2 1.8.1.9 0.845
4jq9 FADDihydrolipoyl dehydrogenase / 0.845
1v59 FADDihydrolipoyl dehydrogenase, mitochondrial 1.8.1.4 0.843
4b1b FADThioredoxin reductase 1.8.1.9 0.843
2zz0 FADThioredoxin reductase 1, cytoplasmic 1.8.1.9 0.837
2eq9 FADDihydrolipoyl dehydrogenase / 0.835
1nhr FADNADH peroxidase 1.11.1.1 0.832
1zmd FADDihydrolipoyl dehydrogenase, mitochondrial 1.8.1.4 0.831
3djj FADGlutathione reductase, mitochondrial 1.8.1.7 0.823
1gsn FADGlutathione reductase, mitochondrial 1.8.1.7 0.822
4la1 FADThioredoxin glutathione reductase / 0.822
2gh5 FADGlutathione reductase, mitochondrial 1.8.1.7 0.818
2npx FADNADH peroxidase 1.11.1.1 0.818
2rab FADGlutathione amide reductase / 0.812
1nhs FADNADH peroxidase 1.11.1.1 0.810
3urh FADDihydrolipoyl dehydrogenase / 0.810
3oz2 FADDigeranylgeranylglycerophospholipid reductase / 0.808
1ebd FADDihydrolipoyl dehydrogenase 1.8.1.4 0.806
1npx FADNADH peroxidase 1.11.1.1 0.805
1zmc FADDihydrolipoyl dehydrogenase, mitochondrial 1.8.1.4 0.804
1bwc FADGlutathione reductase, mitochondrial 1.8.1.7 0.802
3icr FADCoenzyme A disulfide reductase / 0.801
3qfb FADThioredoxin reductase 1, cytoplasmic 1.8.1.9 0.797
1dnc FADGlutathione reductase, mitochondrial 1.8.1.7 0.792
1h7w FADDihydropyrimidine dehydrogenase [NADP(+)] 1.3.1.2 0.792
1lvl FADDihydrolipoyl dehydrogenase 1.8.1.4 0.791
1mok FAD2-oxopropyl-CoM reductase, carboxylating 1.8.1.5 0.791
1gre FADGlutathione reductase, mitochondrial 1.8.1.7 0.789
1xdi FADNAD(P)H dehydrogenase (quinone) / 0.786
1joa FADNADH peroxidase 1.11.1.1 0.785
1nhp FADNADH peroxidase 1.11.1.1 0.785
1jeh FADDihydrolipoyl dehydrogenase, mitochondrial 1.8.1.4 0.784
2a8x FADDihydrolipoyl dehydrogenase 1.8.1.4 0.784
4o5q FADAlkyl hydroperoxide reductase subunit F 1.8.1 0.784
1lpf FADDihydrolipoyl dehydrogenase 1.8.1.4 0.781
1tde FADThioredoxin reductase 1.8.1.9 0.780
1grh FADGlutathione reductase, mitochondrial 1.8.1.7 0.778
1f8w FADNADH peroxidase 1.11.1.1 0.776
2c3c FAD2-oxopropyl-CoM reductase, carboxylating 1.8.1.5 0.775
3itj FADThioredoxin reductase 1 1.8.1.9 0.775
1gte FADDihydropyrimidine dehydrogenase [NADP(+)] 1.3.1.2 0.774
1nhq FADNADH peroxidase 1.11.1.1 0.774
4m52 FADDihydrolipoyl dehydrogenase 1.8.1.4 0.774
3djg FADGlutathione reductase, mitochondrial 1.8.1.7 0.772
3dk8 FADGlutathione reductase, mitochondrial 1.8.1.7 0.771
2zbw FADFerredoxin--NADP reductase / 0.769
3atq FDAConserved Archaeal protein / 0.765
3fbs FADOxidoreductase / 0.763
4opt FDAConserved Archaeal protein / 0.759
4fx9 FADCoenzyme A disulfide reductase 1.8.1.14 0.757
3atr FDAConserved Archaeal protein / 0.756
3oc4 FADOxidoreductase, pyridine nucleotide-disulfide family / 0.756
2whd FADThioredoxin reductase / 0.753
3ef6 FADToluene 1,2-dioxygenase system ferredoxin--NAD(+) reductase component 1.18.1.3 0.752
3cgb FADCoenzyme A disulfide reductase / 0.750
4k2x FADPolyketide oxygenase/hydroxylase / 0.750
2gmh FADElectron transfer flavoprotein-ubiquinone oxidoreductase, mitochondrial 1.5.5.1 0.748
3cox FADCholesterol oxidase 1.1.3.6 0.747
4j31 FADKynurenine 3-monooxygenase / 0.746
4ykg FADAlkyl hydroperoxide reductase subunit F 1.8.1 0.745
4j34 FADKynurenine 3-monooxygenase / 0.743
1ojt FADDihydrolipoyl dehydrogenase / 0.740
3nta FADFAD-dependent pyridine nucleotide-disulphide oxidoreductase / 0.740
4h2n FAD2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase / 0.740
4h4p FADBiphenyl dioxygenase ferredoxin reductase subunit / 0.740
4jnq FDAThioredoxin reductase / 0.739
1mo9 FAD2-oxopropyl-CoM reductase, carboxylating 1.8.1.5 0.738
1q1r FADPutidaredoxin reductase 1.18.1.5 0.738
3ic9 FADPutative dihydrolipoamide dehydrogenase / 0.738
4jn9 FADDepH / 0.738
1cbo FADCholesterol oxidase 1.1.3.6 0.736
4h4r FADBiphenyl dioxygenase ferredoxin reductase subunit / 0.736
4up3 FADThioredoxin reductase / 0.736
1grg FADGlutathione reductase, mitochondrial 1.8.1.7 0.735
2gew FADCholesterol oxidase 1.1.3.6 0.735
3lzw FADFerredoxin--NADP reductase 2 1.18.1.2 0.734
3cty FADProbable thioredoxin reductase / 0.732
1d7y FADFerredoxin reductase / 0.731
4cnj FADL-amino acid oxidase / 0.731
3ict FADCoenzyme A disulfide reductase / 0.730
1onf FADGlutathione reductase 1.8.1.7 0.728
2gr0 FADFerredoxin reductase / 0.728
4a5l FADThioredoxin reductase / 0.728
4cnk FADL-amino acid oxidase / 0.728
4h4x FADBiphenyl dioxygenase ferredoxin reductase subunit / 0.728
3b6d FAECholesterol oxidase 1.1.3.6 0.725
3fmw FADOxygenase / 0.725
5fs8 FADApoptosis-inducing factor 1, mitochondrial 1.1.1 0.725
3lzx FADFerredoxin--NADP reductase 2 1.18.1.2 0.724
4opl FDAConserved Archaeal protein / 0.724
1q1w FADPutidaredoxin reductase 1.18.1.5 0.723
2gqw FADFerredoxin reductase / 0.723
3ish FADThioredoxin reductase 1.8.1.9 0.723
5er0 FADUncharacterized NAD(FAD)-dependent dehydrogenase / 0.723
3gdp FAD(R)-mandelonitrile lyase 2 4.1.2.10 0.722
4jy2 FAD2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase / 0.722
4cbq FADThioredoxin reductase / 0.721
4h4v FADBiphenyl dioxygenase ferredoxin reductase subunit / 0.721
4u2l SFDCholesterol oxidase 1.1.3.6 0.721
1zy8 FADDihydrolipoyl dehydrogenase, mitochondrial 1.8.1.4 0.720
2bab FADPutative aminooxidase / 0.718
2qa1 FADPgaE / 0.718
2xdo FADTetX family tetracycline inactivation enzyme / 0.718
2ywl FADThioredoxin reductase related protein / 0.717
4ccq FADThioredoxin reductase / 0.717
1gal FADGlucose oxidase 1.1.3.4 0.715
4k5r FADOxygenase / 0.715
4ccr FADThioredoxin reductase / 0.714
4j2w FADKynurenine 3-monooxygenase / 0.714
3gmb FAD2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase / 0.713
4gcm FADThioredoxin reductase 1.8.1.9 0.713
4qi4 FADCellobiose dehydrogenase / 0.710
4bjz FADProbable salicylate monooxygenase / 0.709
4h4t FADBiphenyl dioxygenase ferredoxin reductase subunit / 0.709
5fs7 FADApoptosis-inducing factor 1, mitochondrial 1.1.1 0.709
3all FAD2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase / 0.708
4h2p FAD2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase / 0.708
1ju2 FAD(R)-mandelonitrile lyase 2 4.1.2.10 0.707
3d8x FADThioredoxin reductase 1 1.8.1.9 0.707
3nyc FADFAD-dependent catabolic D-arginine dehydrogenase DauA / 0.707
5dbj FADFADH2-dependent halogenase PltA / 0.707
1tdf FADThioredoxin reductase 1.8.1.9 0.706
3ab1 FADFerredoxin--NADP reductase 1.18.1.2 0.706
3cgc FADCoenzyme A disulfide reductase / 0.706
4opg FDAConserved Archaeal protein / 0.704
5buk FADFADH2-dependent halogenase / 0.704
1e6e FADNADPH:adrenodoxin oxidoreductase, mitochondrial 1.18.1.6 0.703
3gyj FADCholesterol oxidase 1.1.3.6 0.703
2cvj FADThioredoxin reductase related protein / 0.702
2bry FAD[F-actin]-methionine sulfoxide oxidase MICAL1 1.14.13 0.701
3ntd FADFAD-dependent pyridine nucleotide-disulphide oxidoreductase / 0.701
4fwe FADLysine-specific histone demethylase 1B 1 0.701
2qa2 FADPolyketide oxygenase CabE / 0.700
2z6c FMNPhototropin-1 2.7.11.1 0.699
4gut FADLysine-specific histone demethylase 1B 1 0.699
4xwz FADFructosyl amine:oxygen oxidoreductase / 0.699
3v76 FDAUncharacterized protein / 0.698
5g3s FDAFlavin-dependent L-tryptophan oxidase VioA / 0.698
4dsh FDAUncharacterized protein / 0.697
4opi FDAConserved Archaeal protein / 0.697
2cdu FADNADH oxidase / 0.696
2q7v FADThioredoxin reductase / 0.696
3cgd FADCoenzyme A disulfide reductase / 0.695
4opu FDAConserved Archaeal protein / 0.695
3alm FAD2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase / 0.694
4j33 FADKynurenine 3-monooxygenase / 0.693
5g3t FDAFlavin-dependent L-tryptophan oxidase VioA / 0.693
1e1m FADNADPH:adrenodoxin oxidoreductase, mitochondrial 1.18.1.6 0.691
2gr3 FADFerredoxin reductase / 0.691
2yg5 FADPutrescine oxidase / 0.691
4em3 FADCoenzyme A disulfide reductase / 0.690
4nte FADDepH / 0.690
1yy5 FADPolyamine oxidase FMS1 / 0.689
1fl2 FADAlkyl hydroperoxide reductase subunit F 1.8.1 0.688
1gv4 FADApoptosis-inducing factor 1, mitochondrial 1.1.1 0.688
2yvj FADFerredoxin reductase / 0.688
3alj FAD2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase / 0.688
4eqx FADCoenzyme A disulfide reductase / 0.688
4h4z FADBiphenyl dioxygenase ferredoxin reductase subunit / 0.688
4z24 FADPutative GMC-type oxidoreductase R135 1 0.688
5fs6 FADApoptosis-inducing factor 1, mitochondrial 1.1.1 0.688
3fg2 FADPutative rubredoxin reductase / 0.687
4ntd FADThioredoxin reductase / 0.687
5fs9 FADApoptosis-inducing factor 1, mitochondrial 1.1.1 0.687
4hsu FADLysine-specific histone demethylase 1B 1 0.686
5hsa FASAlcohol oxidase 1 1.1.3.13 0.686
4opc FDAConserved Archaeal protein / 0.685
5eow FAD6-hydroxynicotinate 3-monooxygenase 1.14.13.114 0.684
3k4n FADPyranose 2-oxidase / 0.683
4em4 FADCoenzyme A disulfide reductase / 0.683
2q0k FADThioredoxin reductase 1.8.1.9 0.682
2jb1 FADL-amino acid oxidase / 0.681
1e1l FADNADPH:adrenodoxin oxidoreductase, mitochondrial 1.18.1.6 0.680
2b9w FADPutative aminooxidase / 0.680
4gur FADLysine-specific histone demethylase 1B 1 0.680
4hia FMNLOV protein / 0.680
4fwf FADLysine-specific histone demethylase 1B 1 0.679
4hb9 FADUncharacterized protein / 0.679
4yry FADGlutamate synthase, beta subunit / 0.679
2bac FADPutative aminooxidase / 0.678
3f8d FADNADH oxidase/thioredoxin reductase / 0.678
4l82 FMNUncharacterized protein / 0.677
4ynt FDAGlucose oxidase, putative / 0.677
1gth FADDihydropyrimidine dehydrogenase [NADP(+)] 1.3.1.2 0.676
1yqz FADCoenzyme A disulfide reductase / 0.675
2igo FADPyranose 2-oxidase / 0.674
4mih FADPyranose 2-oxidase 1.1.3.10 0.674
1lqu FADNADPH-ferredoxin reductase FprA 1.18.1.2 0.673
4bk3 FADProbable salicylate monooxygenase / 0.673
2b9y FADPutative aminooxidase / 0.672
3lsi FADPyranose 2-oxidase / 0.672
4lii FADApoptosis-inducing factor 1, mitochondrial 1.1.1 0.672
4mok FADPyranose 2-oxidase / 0.672
4mo2 FDAUDP-galactopyranose mutase / 0.671
4wuj FMNGlycoside hydrolase family 15, cellulose signaling associated protein envoy / 0.671
1ib0 FADNADH-cytochrome b5 reductase 3 1.6.2.2 0.670
2ign FADPyranose 2-oxidase / 0.670
2jae FADL-amino acid oxidase / 0.670
3k7t FAD6-hydroxy-L-nicotine oxidase / 0.670
1m6i FADApoptosis-inducing factor 1, mitochondrial 1.1.1 0.669
1vdc FADThioredoxin reductase 1, mitochondrial 1.8.1.9 0.669
1d7l RFLp-hydroxybenzoate hydroxylase / 0.668
2yg6 FADPutrescine oxidase / 0.668
4bk2 FADProbable salicylate monooxygenase / 0.668
1cc2 FADCholesterol oxidase 1.1.3.6 0.667
2jb2 FADL-amino acid oxidase / 0.667
3c4a FADProtodeoxyviolaceinate monooxygenase 1 0.667
3pl8 FADPyranose 2-oxidase / 0.667
1qo8 FADFumarate reductase flavoprotein subunit / 0.666
3r9u FADThioredoxin reductase / 0.666
4mo2 FADUDP-galactopyranose mutase / 0.666
2fjd SFDAdenylylsulfate reductase, subunit A (AprA) / 0.665
4emj FADToluene 1,2-dioxygenase system ferredoxin--NAD(+) reductase component 1.18.1.3 0.665
1trb FADThioredoxin reductase 1.8.1.9 0.664
2b9x FADPutative aminooxidase / 0.664
3bg7 FADPyranose 2-oxidase / 0.664
4eqw FADCoenzyme A disulfide reductase / 0.664
1knp FADL-aspartate oxidase 1.4.3.16 0.663
4bf9 FMNtRNA-dihydrouridine(16) synthase / 0.663
4icy FADPgaE / 0.663
4a65 FADThioredoxin reductase / 0.662
4ap3 FADSteroid monooxygenase / 0.662
1h81 FADPolyamine oxidase 1.5.3.14 0.661
4d03 FADPhenylacetone monooxygenase 1.14.13.92 0.661
4g6g FADRotenone-insensitive NADH-ubiquinone oxidoreductase, mitochondrial 1.6.5.9 0.661
2c7g FADNADPH-ferredoxin reductase FprA 1.18.1.2 0.660
3cge FADCoenzyme A disulfide reductase / 0.660
4fwj FADLysine-specific histone demethylase 1B 1 0.660
4i58 FADCyclohexylamine Oxidase / 0.660
2vou FAD2,6-dihydroxypyridine 3-monooxygenase 1.14.13.10 0.659
2yg4 FADPutrescine oxidase / 0.659
4a99 FADTetX family tetracycline inactivation enzyme / 0.659
1ep3 FADDihydroorotate dehydrogenase B (NAD(+)), electron transfer subunit / 0.658
1tdo FADL-amino-acid oxidase 1.4.3.2 0.658
2fjb SFDAdenylylsulfate reductase, subunit A (AprA) / 0.658
2fzn FADBifunctional protein PutA 1.5.5.2 0.658
3m12 FADMonomeric sarcosine oxidase 1.5.3.1 0.658
4ocg FADFAD-dependent pyridine nucleotide-disulphide oxidoreductase / 0.658
2dw4 FADLysine-specific histone demethylase 1A 1 0.657
2v3a FADRubredoxin-NAD(+) reductase 1.18.1.1 0.657
3bi2 FADPolyamine oxidase FMS1 / 0.657
3uth FDAUDP-galactopyranose mutase / 0.656
4bv6 FADApoptosis-inducing factor 1, mitochondrial 1.1.1 0.656
4eep FMNPhototropin-2 2.7.11.1 0.656
3ad9 FADSubunit beta of sarcosine oxidase / 0.655
3qvr FADGlucose oxidase 1.1.3.4 0.655
3rha FDAPutrescine oxidase / 0.655
4cy8 FDA2-hydroxybiphenyl-3-monooxygenase / 0.655
4d04 FADPhenylacetone monooxygenase 1.14.13.92 0.655
4g73 FADRotenone-insensitive NADH-ubiquinone oxidoreductase, mitochondrial 1.6.5.9 0.655
4ysh FADGlycine oxidase / 0.655
5cho FADFlavin reductase / 0.655
1jr8 FADFAD-linked sulfhydryl oxidase ERV2 1.8.3.2 0.654
1oo5 FMNOxygen-insensitive NAD(P)H nitroreductase / 0.654
1jnr FADAdenylylsulfate reductase, subunit A (AprA) / 0.653
1yki FMNOxygen-insensitive NAD(P)H nitroreductase / 0.653
3sgl FADtRNA 5-methylaminomethyl-2-thiouridine biosynthesis bifunctional protein MnmC / 0.653
4emw FADCoenzyme A disulfide reductase / 0.653
1pkv RBFRiboflavin synthase 2.5.1.9 0.652
3ge6 FMNNitroreductase / 0.652
5l3d FADLysine-specific histone demethylase 1A 1 0.652
1knr FADL-aspartate oxidase 1.4.3.16 0.651
1i0s FMNFerric-chelate reductase (NAD(P)H) / 0.650
1rz1 FADPhenol 2-hydroxylase component B / 0.650
2fje FADAdenylylsulfate reductase, subunit A (AprA) / 0.650
2yvf FADFerredoxin reductase / 0.650
4dsg FADUncharacterized protein / 0.650