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sc-PDB

An Annotated Database of Druggable Binding Sites from the Protein DataBank

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Distribution of Cavity similarities measured by Shaper
You can zoom onto the graph by using the mouse to make a selection

Cavities are compared using Shaper.
For more information, please see the following publication: Desaphy J. et al. Comparison and Druggability Prediction of protein-Ligand Binding sites from pharmacophore-annotated cavity shapes J. Chem. Inf. Model., 2012, 52(8), pp2287-2299

Reference Protein Data Bank Entry :
PDB ID HET Uniprot Name EC Number
3i0aDBHNeutrophil gelatinase-associated lipocalin

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity		 Align
3i0aDBHNeutrophil gelatinase-associated lipocalin/1.000
2ylrNAPPhenylacetone monooxygenase1.14.13.920.480
3gwdNAPCyclohexanone monooxygenase/0.471
2oapANPType II secretion system protein (GspE-2)/0.468
2qimZEAClass 10 plant pathogenesis-related protein/0.468
4h9tHL4Phosphotriesterase/0.467
4d03NAPPhenylacetone monooxygenase1.14.13.920.465
3otwCOAPhosphopantetheine adenylyltransferase/0.456
3frkTQPQdtB/0.454
3giyFMN(S)-mandelate dehydrogenase1.1.99.310.454
4zgsNADPutative D-lactate dehydrogenase/0.453
1kkq471Peroxisome proliferator-activated receptor alpha/0.452
4oviN01Phenylacetone monooxygenase1.14.13.920.452
3b6zCO7Enoyl reductase LovC10.447
3ie3N11Glutathione S-transferase P2.5.1.180.446
4tmcFMNOld yellow enzyme/0.446
1nj6A5AProline--tRNA ligase/0.445
1u1f183Uridine phosphorylase2.4.2.30.445
4c77N01Phenylacetone monooxygenase1.14.13.920.445
1goxFMNPeroxisomal (S)-2-hydroxy-acid oxidase1.1.3.150.444
2w2lNADD-mandelate dehydrogenase/0.444
4d2dALA_ALA_ALADi-or tripeptide:H+ symporter/0.442
4i6gFADCryptochrome-2/0.441
1nupNMNNicotinamide/nicotinic acid mononucleotide adenylyltransferase 3/0.440
1sesAHXSerine--tRNA ligase6.1.1.110.440
2e77FMNLactate oxidase/0.440
2qw034Z4-chlorobenzoyl CoA ligase/0.440
5ej6TD62-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase/0.440