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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
4gae NDP 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic 1.1.1.267

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
4gae NDP1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic 1.1.1.267 1.173
3au8 NDP1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic 1.1.1.267 0.873
1q0q NDP1-deoxy-D-xylulose 5-phosphate reductoisomerase 1.1.1.267 0.811
3ras NDP1-deoxy-D-xylulose 5-phosphate reductoisomerase / 0.768
2jd1 NDP1-deoxy-D-xylulose 5-phosphate reductoisomerase / 0.758
4rcv NDP1-deoxy-D-xylulose 5-phosphate reductoisomerase / 0.751
5ein NAP[LysW]-L-2-aminoadipate 6-phosphate reductase / 0.726
3hwr NDP2-dehydropantoate 2-reductase / 0.723
1wp4 NDP3-hydroxyisobutyrate dehydrogenase / 0.722
2cvz NDP3-hydroxyisobutyrate dehydrogenase / 0.713
2rcy NAPPyrroline-5-carboxylate reductase / 0.713
3anm NDP1-deoxy-D-xylulose 5-phosphate reductoisomerase 1.1.1.267 0.712
5eio NAP[LysW]-L-2-aminoadipate 6-phosphate reductase / 0.705
4b8z NAPGDP-L-fucose synthase 1.1.1.271 0.704
3keo NADRedox-sensing transcriptional repressor Rex / 0.703
1jvs NDP1-deoxy-D-xylulose 5-phosphate reductoisomerase 1.1.1.267 0.702
1h6d NDPGlucose--fructose oxidoreductase 1.1.99.28 0.700
1nvm NADAcetaldehyde dehydrogenase 1.2.1.10 0.699
3f3s NADLambda-crystallin homolog / 0.698
1m75 NADHydroxyacyl-coenzyme A dehydrogenase, mitochondrial 1.1.1.35 0.696
2jcx NDP1-deoxy-D-xylulose 5-phosphate reductoisomerase / 0.696
4w6z 8IDAlcohol dehydrogenase 1 1.1.1.1 0.696
2f1k NAPPrephenate dehydrogenase / 0.694
1m76 NADHydroxyacyl-coenzyme A dehydrogenase, mitochondrial 1.1.1.35 0.693
4e5y NDPGDP-L-fucose synthase 1.1.1.271 0.690
5ijz NAPNADP-specific glutamate dehydrogenase 1.4.1.4 0.689
1n2s NAIdTDP-4-dehydrorhamnose reductase 1.1.1.133 0.687
2q3e NAIUDP-glucose 6-dehydrogenase 1.1.1.22 0.686
4u7w NDPMxaA / 0.684
5a02 NAPGlucose-fructose oxidoreductase / 0.684
5c7o NADGlyceraldehyde-3-phosphate dehydrogenase, testis-specific 1.2.1.12 0.683
1hdg NADGlyceraldehyde-3-phosphate dehydrogenase / 0.682
1f0y NADHydroxyacyl-coenzyme A dehydrogenase, mitochondrial 1.1.1.35 0.681
1r0l NDP1-deoxy-D-xylulose 5-phosphate reductoisomerase / 0.681
1u8f NADGlyceraldehyde-3-phosphate dehydrogenase 1.2.1.12 0.681
2voj NADAlanine dehydrogenase 1.4.1.1 0.681
2i3g NAPN-acetyl-gamma-glutamyl-phosphate reductase 1.2.1.38 0.679
2ixa NADAlpha-N-acetylgalactosaminidase 3.2.1.49 0.679
2vhz NAIAlanine dehydrogenase 1.4.1.1 0.679
2ydx NAPMethionine adenosyltransferase 2 subunit beta / 0.679
4y1b NAPAntE / 0.679
3zu2 NAIEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.678
3h2s NDPPutative NADH-flavin reductase / 0.676
1pjc NADAlanine dehydrogenase / 0.675
2jd0 NDP1-deoxy-D-xylulose 5-phosphate reductoisomerase / 0.675
1h6a NDPGlucose--fructose oxidoreductase 1.1.99.28 0.674
1nbo NADGlyceraldehyde-3-phosphate dehydrogenase A, chloroplastic 1.2.1.13 0.672
1npd NADQuinate/shikimate dehydrogenase / 0.672
4om8 NAD3-hydroxybutyryl-coA dehydrogenase / 0.671
5env NADAlcohol dehydrogenase 1 1.1.1.1 0.671
2vhx NADAlanine dehydrogenase 1.4.1.1 0.670
1dss NADGlyceraldehyde-3-phosphate dehydrogenase 1.2.1.12 0.668
2ggs NDPdTDP-4-dehydrorhamnose reductase / 0.668
2jah NDPClavaldehyde dehydrogenase / 0.668
4k9d NADGlyceraldehyde-3-phosphate dehydrogenase 1.2.1.12 0.668
5a04 NDPGlucose-fructose oxidoreductase / 0.668
1cf2 NAPGlyceraldehyde-3-phosphate dehydrogenase / 0.667
1evj NADGlucose--fructose oxidoreductase 1.1.99.28 0.667
1zh8 NAPUncharacterized protein / 0.667
2ep7 NADGlyceraldehyde-3-phosphate dehydrogenase / 0.667
3b20 NADGlyceraldehyde-3-phosphate dehydrogenase / 0.667
3q2k NAIProbable oxidoreductase / 0.667
3pdu NAPGlyoxalate/3-oxopropanoate/4-oxobutanoate reductase / 0.666
4e5p NADPhosphonate dehydrogenase 1.20.1.1 0.666
1il0 NADHydroxyacyl-coenzyme A dehydrogenase, mitochondrial 1.1.1.35 0.665
3x2f NAIAdenosylhomocysteinase / 0.665
3ggp NADPrephenate dehydrogenase / 0.664
1t2a NDPGDP-mannose 4,6 dehydratase 4.2.1.47 0.663
3kbo NDPGlyoxylate/hydroxypyruvate reductase A / 0.663
3rku NAPNADP-dependent 3-hydroxy acid dehydrogenase / 0.663
3dmt NADGlyceraldehyde-3-phosphate dehydrogenase, glycosomal 1.2.1.12 0.662
4b8w NAPGDP-L-fucose synthase 1.1.1.271 0.661
4y0k NAPAntE / 0.661
1r37 NADNAD-dependent alcohol dehydrogenase 1.1.1.1 0.660
3w6u NAP6-phosphogluconate dehydrogenase, NAD-binding protein / 0.660
4oaq NDPR-specific carbonyl reductase / 0.660
1gq2 NAPNADP-dependent malic enzyme 1.1.1.40 0.658
3had NADHydroxyacyl-coenzyme A dehydrogenase, mitochondrial 1.1.1.35 0.657
5a03 NDPGlucose-fructose oxidoreductase / 0.656
1h6c NDPGlucose--fructose oxidoreductase 1.1.99.28 0.655
1j0x NADGlyceraldehyde-3-phosphate dehydrogenase 1.2.1.12 0.655
2czc NADGlyceraldehyde-3-phosphate dehydrogenase 1.2.1.59 0.654
2ekl NADD-3-phosphoglycerate dehydrogenase / 0.654
3b1j NADGlyceraldehyde-3-phosphate dehydrogenase / 0.654
3ikt NADRedox-sensing transcriptional repressor Rex / 0.654
3wbb NAPMeso-diaminopimelate D-dehydrogenase / 0.654
4wji NAPPutative cyclohexadienyl dehydrogenase and ADH prephenate dehydrogenase / 0.654
5a06 NDPGlucose-fructose oxidoreductase / 0.654
1vsv NADGlyceraldehyde-3-phosphate dehydrogenase / 0.653
1o9b NAIQuinate/shikimate dehydrogenase / 0.652
3keq NADRedox-sensing transcriptional repressor Rex / 0.652
3t4e NADQuinate/shikimate dehydrogenase / 0.652
4dpl NAPMalonyl-CoA reductase 1.2.1.75 0.652
4j7x NAPSepiapterin reductase 1.1.1.153 0.652
1dbv NADGlyceraldehyde-3-phosphate dehydrogenase / 0.650
1yqd NAPSinapyl alcohol dehydrogenase / 0.650
3zdf NADGlyceraldehyde-3-phosphate dehydrogenase / 0.650