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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
4iv0SAMPhosphoethanolamine N-methyltransferase, putative

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity		 Align
4iv0SAMPhosphoethanolamine N-methyltransferase, putative/1.000
4mwzSAMPhosphoethanolamine N-methyltransferase, putative/0.661
3uj7SAMPhosphoethanolamine N-methyltransferase/0.551
3uj8SFGPhosphoethanolamine N-methyltransferase/0.547
4r6xSAHPhosphoethanolamine N-methyltransferase/0.542
4fgzSAHPhosphoethanolamine N-methyltransferase/0.519
5epeSAHUncharacterized protein/0.477
3ha5SFGHydroxymycolate synthase MmaA42.1.10.476
2fk8SAMHydroxymycolate synthase MmaA42.1.10.473
2hqmFADGlutathione reductase1.8.1.70.470
3p9kSAHCaffeic acid O-methyltransferase/0.470
1w4xFADPhenylacetone monooxygenase1.14.13.920.465
2ylzFADPhenylacetone monooxygenase1.14.13.920.464
1dr3HBIDihydrofolate reductase1.5.1.30.462
3pfhT3QdTDP-3-amino-3,6-dideoxy-alpha-D-glucopyranose N,N-dimethyltransferase2.1.1.2350.460
5bw4SAMUncharacterized protein/0.459
1ju9NADAlcohol dehydrogenase E chain1.1.1.10.454
2gjlFMNNitronate monooxygenase1.13.12.160.454
1r6uTYMTryptophan--tRNA ligase, cytoplasmic6.1.1.20.453
5bp7SAHSAM-dependent methyltransferase/0.453
1rfvADPPyridoxal kinase2.7.1.350.451
4wuoNAD3-isopropylmalate dehydrogenase1.1.1.850.449
1qanSAHrRNA adenine N-6-methyltransferase2.1.1.1840.448
2jamJ60Calcium/calmodulin-dependent protein kinase type 1G2.7.11.170.448
2yxuATPPyridoxal kinase2.7.1.350.448
2c9zQUEAnthocyanidin 3-O-glucosyltransferase 22.4.1.1150.444
4i421HA1,4-dihydroxy-2-naphthoyl-CoA synthase/0.444
4qtuSAM18S rRNA (guanine(1575)-N(7))-methyltransferase/0.444
5je2SAHMethyl transferase/0.444
2j9fTHV2-oxoisovalerate dehydrogenase subunit alpha, mitochondrial1.2.4.40.443
2j9fTHV2-oxoisovalerate dehydrogenase subunit beta, mitochondrial1.2.4.40.443
3keuATPPyridoxal kinase2.7.1.350.443
1zdwFLVPrenyltransferase/0.442
2givACOHistone acetyltransferase KAT8/0.442
3hyoADPPyridoxal kinase/0.442
4a83DXCMajor pollen allergen Bet v 1-A/0.442
5icfSAH(S)-norcoclaurine 6-O-methyltransferase/0.442
4qzuRTLRetinol-binding protein 2/0.441
2rgjFADFlavin-containing monooxygenase/0.440