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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
1akeAP5Adenylate kinase

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity		 Align
1akeAP5Adenylate kinase/1.000
2eckADPAdenylate kinase/0.684
4qbiAP5Adenylate kinase/0.611
1ankANPAdenylate kinase/0.609
3hpqAP5Adenylate kinase/0.585
2oo7AP5Adenylate kinase/0.574
4qbhAP5Adenylate kinase/0.569
4nu0AP5Adenylate kinase/0.564
4cf7ADPAdenylate kinase/0.557
4x8oAP5Adenylate kinase/0.555
4jl5ADPAdenylate kinase/0.553
4jl6ADPAdenylate kinase/0.552
1p3jAP5Adenylate kinase/0.551
3dkvAP5Adenylate kinase/0.543
4x8lAP5Adenylate kinase/0.519
4w5jAP5Adenylate kinase/0.516
2akyAP5Adenylate kinase/0.514
4jldADPAdenylate kinase/0.514
2rgxAP5Adenylate kinase/0.499
2py7ATPPhosphoenolpyruvate carboxykinase (ATP)/0.452
3pghFLPProstaglandin G/H synthase 21.14.99.10.450
2olrATPPhosphoenolpyruvate carboxykinase (ATP)/0.449
2rl1UD1UDP-N-acetylglucosamine 1-carboxyvinyltransferase/0.447
1oc1ASVIsopenicillin N synthase1.21.3.10.445
4gllNADUDP-glucuronic acid decarboxylase 14.1.1.350.444
1e5qNDPSaccharopine dehydrogenase [NADP(+), L-glutamate-forming]1.5.1.100.443
1vl8NAPOxidoreductase, short chain dehydrogenase/reductase family/0.442
3s79ASDAromatase1.14.14.140.442
1qoqIGPTryptophan synthase alpha chain/0.441
4gukP2GNeuronal calcium sensor 1/0.441
1g9cBABBotulinum neurotoxin type B3.4.24.690.440
2vcmM11Isopenicillin N synthase1.21.3.10.440
2x1eX1EAcyl-coenzyme A:6-aminopenicillanic-acid-acyltransferase 40 kDa form2.3.1.1640.440
3cbsR12Cellular retinoic acid-binding protein 2/0.440