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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
3geyP34Poly [ADP-ribose] polymerase 152.4.2.30

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity		 Align
3geyP34Poly [ADP-ribose] polymerase 152.4.2.301.000
4bj9UHBTankyrase-22.4.2.300.588
4pnmNU1Tankyrase-22.4.2.300.579
4tjy3GNTankyrase-22.4.2.300.579
4f0e0RUPoly [ADP-ribose] polymerase 152.4.2.300.573
4bjcRPBTankyrase-22.4.2.300.562
4pnrG18Tankyrase-22.4.2.300.544
1efyBZCPoly [ADP-ribose] polymerase 12.4.2.300.541
3u9y09LTankyrase-22.4.2.300.535
5ds309LPoly [ADP-ribose] polymerase 12.4.2.300.532
5dsyUHBPoly [ADP-ribose] polymerase 22.4.2.300.531
4krs1SXTankyrase-12.4.2.300.529
1paxDHQPoly [ADP-ribose] polymerase 12.4.2.300.528
4k4eK4ETankyrase-12.4.2.300.527
1xk9P34Exotoxin A2.4.2.360.526
4tkg09LTankyrase-22.4.2.300.518
4j3mAJ8Tankyrase-22.4.2.300.513
4bjbP34Tankyrase-22.4.2.300.510
4gv08MEPoly [ADP-ribose] polymerase 32.4.2.300.505
3c49KU8Poly [ADP-ribose] polymerase 32.4.2.300.495
1zm4TADExotoxin A2.4.2.360.494
3c4hDRLPoly [ADP-ribose] polymerase 32.4.2.300.494
4mt92D6Tankyrase-12.4.2.300.494
1dtpAPUDiphtheria toxin/0.493
4l6s1WQPoly [ADP-ribose] polymerase 12.4.2.300.493
3l3mA92Poly [ADP-ribose] polymerase 12.4.2.300.487
3ce0P34Poly [ADP-ribose] polymerase 32.4.2.300.481
2fm5M99cAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.479
3b82NADExotoxin A2.4.2.360.479
4li71XPTankyrase-12.4.2.300.479
4r5wXAVPoly [ADP-ribose] polymerase 12.4.2.300.478
4gv4MEJPoly [ADP-ribose] polymerase 32.4.2.300.477
4tvj09LPoly [ADP-ribose] polymerase 22.4.2.300.477
4hhz15SPoly [ADP-ribose] polymerase 12.4.2.300.475
4bfxZVXPantothenate kinase2.7.1.330.469
4hhy15RPoly [ADP-ribose] polymerase 12.4.2.300.469
2j9fTHV2-oxoisovalerate dehydrogenase subunit alpha, mitochondrial1.2.4.40.467
2j9fTHV2-oxoisovalerate dehydrogenase subunit beta, mitochondrial1.2.4.40.467
2rd678PPoly [ADP-ribose] polymerase 12.4.2.300.467
2zitNADExotoxin A2.4.2.360.467
1uk1FRQPoly [ADP-ribose] polymerase 12.4.2.300.466
2lfoGCHFatty acid-binding protein, liver/0.466
1q84TZ4Acetylcholinesterase3.1.1.70.465
1ddtAPUDiphtheria toxin/0.464
1uk0FRMPoly [ADP-ribose] polymerase 12.4.2.300.464
4c1eMCOBeta-lactamase class B VIM-2/0.463
3r43ID8Aldo-keto reductase family 1 member C3/0.460
3uzwNAP3-oxo-5-beta-steroid 4-dehydrogenase/0.460
1diuBDMDihydrofolate reductase1.5.1.30.458
1q5mNDPProstaglandin-E(2) 9-reductase1.1.1.1890.458
2q3eNAIUDP-glucose 6-dehydrogenase1.1.1.220.458
4gv25MEPoly [ADP-ribose] polymerase 32.4.2.300.458
1mkdZARcAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.457
4rlh0WEEnoyl-[acyl-carrier-protein] reductase [NADH]/0.454
2j3qTFLAcetylcholinesterase3.1.1.70.453
3b8hNADExotoxin A2.4.2.360.453
1ut6A8NAcetylcholinesterase3.1.1.70.452
2aouCQAHistamine N-methyltransferase2.1.1.80.452
3buvNAP3-oxo-5-beta-steroid 4-dehydrogenase/0.452
4a959MTGlycylpeptide N-tetradecanoyltransferase/0.452
2hdjNDPAldo-keto reductase family 1 member C2/0.451
3rsv3RSBeta-secretase 13.4.23.460.451
4jtqNAPAldo-keto reductase family 1 member C2/0.451
4l1xNAPAldo-keto reductase family 1 member C2/0.450
4p9dTMPDeoxycytidylate deaminase/0.450
2a59LMZ6,7-dimethyl-8-ribityllumazine synthase2.5.1.780.449
3zkyWT4Isopenicillin N synthase1.21.3.10.449
4eywL0RCarnitine O-palmitoyltransferase 2, mitochondrial2.3.1.210.449
4msk2C8Tankyrase-12.4.2.300.449
3iexGMPPurine nucleoside phosphorylase/0.448
1mvtDTMDihydrofolate reductase1.5.1.30.446
3bv7NAP3-oxo-5-beta-steroid 4-dehydrogenase/0.446
4klaCHDFerrochelatase, mitochondrial4.99.1.10.446
1s3uTQDDihydrofolate reductase1.5.1.30.445
2h3wHC5Carnitine O-acetyltransferase2.3.1.70.445
1disBDMDihydrofolate reductase1.5.1.30.443
1i5rHYCEstradiol 17-beta-dehydrogenase 11.1.1.620.443
2c9zQUEAnthocyanidin 3-O-glucosyltransferase 22.4.1.1150.443
4araC56Acetylcholinesterase3.1.1.70.443
1icsFMN12-oxophytodienoate reductase 11.3.1.420.442
2c1zKMPAnthocyanidin 3-O-glucosyltransferase 22.4.1.1150.442
3gn73GNPoly [ADP-ribose] polymerase 12.4.2.300.442
3i0pNADMalate dehydrogenase, putative/0.442
4dvi2IWTankyrase-12.4.2.300.442
4eplJAIJasmonic acid-amido synthetase JAR16.3.20.442
4n4v2GYTankyrase-12.4.2.300.442
4zj8SUVOrexin receptor type 1/0.442
1e66HUXAcetylcholinesterase3.1.1.70.441
3g493G4Corticosteroid 11-beta-dehydrogenase isozyme 11.1.1.1460.441
1x1aSAMC-20 methyltransferase/0.440
3ssnMVIMycinamicin VI 2''-O-methyltransferase/0.440
3w2fNADNADH-cytochrome b5 reductase 31.6.2.20.440
4bftZVTPantothenate kinase2.7.1.330.440