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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
4ccq NAP Thioredoxin reductase

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
4ccq NAPThioredoxin reductase / 1.145
4up3 NDPThioredoxin reductase / 1.034
4gcm NAPThioredoxin reductase 1.8.1.9 0.948
3lzx NAPFerredoxin--NADP reductase 2 1.18.1.2 0.933
4a5l NDPThioredoxin reductase / 0.919
2q0l NAPThioredoxin reductase 1.8.1.9 0.898
3lzw NAPFerredoxin--NADP reductase 2 1.18.1.2 0.829
2q0k NAPThioredoxin reductase 1.8.1.9 0.799
4cbq NDPThioredoxin reductase / 0.798
4b65 NDPL-ornithine N(5)-monooxygenase / 0.737
5idw NAPShort-chain dehydrogenase/reductase SDR / 0.714
4b64 NAPL-ornithine N(5)-monooxygenase / 0.711
5cku NAPL-ornithine N(5)-monooxygenase / 0.710
4b68 NAPL-ornithine N(5)-monooxygenase / 0.707
1n5d NDPCarbonyl reductase [NADPH] 1 / 0.706
3s5w NAPL-ornithine N(5)-monooxygenase / 0.704
3gwf NAPCyclohexanone monooxygenase / 0.697
2hrb NAPCarbonyl reductase [NADPH] 3 1.1.1.184 0.694
4iqq UMPThymidylate synthase / 0.692
4xb1 NDP319aa long hypothetical homoserine dehydrogenase / 0.692
3o26 NDPSalutaridine reductase / 0.682
1gq2 NAPNADP-dependent malic enzyme 1.1.1.40 0.680
3pdu NAPGlyoxalate/3-oxopropanoate/4-oxobutanoate reductase / 0.680
2xlt NA0Putative flavin-containing monooxygenase / 0.670
4fox UMPThymidylate synthase ThyA / 0.669
3w6u NAP6-phosphogluconate dehydrogenase, NAD-binding protein / 0.667
4z3d NDPCarbonyl reductase [NADPH] 1 1.1.1.184 0.667
4irr UMPThymidylate synthase / 0.666
4b66 NAPL-ornithine N(5)-monooxygenase / 0.664
2wba NDPTrypanothione reductase 1.8.1.12 0.662
2wow NDPTrypanothione reductase / 0.662
4b67 NAPL-ornithine N(5)-monooxygenase / 0.660
1n7g NDPGDP-mannose 4,6 dehydratase 2 4.2.1.47 0.659
1sny NAPLD36273p / 0.658
2zzc NAPThioredoxin reductase 1, cytoplasmic 1.8.1.9 0.658
1a4i NDPC-1-tetrahydrofolate synthase, cytoplasmic 1.5.1.5 0.657
4bv9 NDPKetimine reductase mu-crystallin 1.5.1.25 0.657
4tv9 GTPTubulin alpha-1B chain / 0.657
1f06 NDPMeso-diaminopimelate D-dehydrogenase 1.4.1.16 0.656
2jah NDPClavaldehyde dehydrogenase / 0.654
3aq0 ISYSolanesyl diphosphate synthase 3, chloroplastic/mitochondrial 2.5.1.85 0.651
3uoz NAP2-oxo-Delta(3)-4,5,5-trimethylcyclopentenylacetyl-CoA monooxygenase 1.14.13.160 0.651
2c3d COM2-oxopropyl-CoM reductase, carboxylating 1.8.1.5 0.650
3bhi NAPCarbonyl reductase [NADPH] 1 1.1.1.184 0.650