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
| PDB ID | HET | Uniprot Name | EC Number |
|---|---|---|---|
| 4bs4 | A64 | Tankyrase-2 | 2.4.2.30 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4bs4 | A64 | Tankyrase-2 | 2.4.2.30 | 1.000 | |
| 4bux | F35 | Tankyrase-2 | 2.4.2.30 | 0.868 | |
| 4bue | JQF | Tankyrase-2 | 2.4.2.30 | 0.838 | |
| 4buw | F33 | Tankyrase-2 | 2.4.2.30 | 0.809 | |
| 4bus | 32F | Tankyrase-2 | 2.4.2.30 | 0.800 | |
| 4l2g | 1V4 | Tankyrase-2 | 2.4.2.30 | 0.786 | |
| 4kzl | 20D | Tankyrase-2 | 2.4.2.30 | 0.652 | |
| 4iue | AJ4 | Tankyrase-2 | 2.4.2.30 | 0.648 | |
| 4hlm | 16S | Tankyrase-2 | 2.4.2.30 | 0.642 | |
| 4l32 | 1VF | Tankyrase-2 | 2.4.2.30 | 0.640 | |
| 4l2k | 1V8 | Tankyrase-2 | 2.4.2.30 | 0.639 | |
| 3p0p | NNF | Tankyrase-2 | 2.4.2.30 | 0.638 | |
| 4l0s | 1UZ | Tankyrase-2 | 2.4.2.30 | 0.637 | |
| 4l2f | 1V3 | Tankyrase-2 | 2.4.2.30 | 0.635 | |
| 4hlh | 20D | Tankyrase-2 | 2.4.2.30 | 0.633 | |
| 4l33 | F70 | Tankyrase-2 | 2.4.2.30 | 0.628 | |
| 4bj9 | UHB | Tankyrase-2 | 2.4.2.30 | 0.627 | |
| 4hlf | 15Z | Tankyrase-2 | 2.4.2.30 | 0.627 | |
| 4l0v | 1V1 | Tankyrase-2 | 2.4.2.30 | 0.625 | |
| 4avu | LDR | Tankyrase-2 | 2.4.2.30 | 0.623 | |
| 4hl5 | 15W | Tankyrase-2 | 2.4.2.30 | 0.620 | |
| 4l31 | F08 | Tankyrase-2 | 2.4.2.30 | 0.617 | |
| 5aku | 29F | Tankyrase-2 | 2.4.2.30 | 0.612 | |
| 4l09 | 1UR | Tankyrase-2 | 2.4.2.30 | 0.606 | |
| 4l0i | 1UW | Tankyrase-2 | 2.4.2.30 | 0.606 | |
| 4avw | G18 | Tankyrase-2 | 2.4.2.30 | 0.600 | |
| 4buf | F36 | Tankyrase-2 | 2.4.2.30 | 0.598 | |
| 4buv | 16I | Tankyrase-2 | 2.4.2.30 | 0.594 | |
| 4hki | FLN | Tankyrase-2 | 2.4.2.30 | 0.590 | |
| 4hmh | F94 | Tankyrase-2 | 2.4.2.30 | 0.590 | |
| 4krs | 1SX | Tankyrase-1 | 2.4.2.30 | 0.585 | |
| 3u9y | 09L | Tankyrase-2 | 2.4.2.30 | 0.584 | |
| 4bud | 29F | Tankyrase-2 | 2.4.2.30 | 0.584 | |
| 4j21 | AJ6 | Tankyrase-2 | 2.4.2.30 | 0.583 | |
| 4but | 31F | Tankyrase-2 | 2.4.2.30 | 0.581 | |
| 4j3l | AJ5 | Tankyrase-2 | 2.4.2.30 | 0.556 | |
| 4tkg | 09L | Tankyrase-2 | 2.4.2.30 | 0.553 | |
| 4pnr | G18 | Tankyrase-2 | 2.4.2.30 | 0.536 | |
| 4pnm | NU1 | Tankyrase-2 | 2.4.2.30 | 0.518 | |
| 4tjy | 3GN | Tankyrase-2 | 2.4.2.30 | 0.504 | |
| 4bjb | P34 | Tankyrase-2 | 2.4.2.30 | 0.498 | |
| 2ouu | 35G | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.493 | |
| 4dvi | 2IW | Tankyrase-1 | 2.4.2.30 | 0.489 | |
| 1wl4 | COA | Acetyl-CoA acetyltransferase, cytosolic | 2.3.1.9 | 0.488 | |
| 3nx2 | FER | Ferulic acid decarboxylase | / | 0.486 | |
| 4msk | 2C8 | Tankyrase-1 | 2.4.2.30 | 0.485 | |
| 3sqz | COA | Putative hydroxymethylglutaryl-CoA synthase | / | 0.480 | |
| 4o9c | COA | Acetyl-CoA acetyltransferase | 2.3.1.9 | 0.477 | |
| 3a25 | SAM | tRNA(Phe) (4-demethylwyosine(37)-C(7)) aminocarboxypropyltransferase | / | 0.476 | |
| 1efy | BZC | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.475 | |
| 1ni4 | TPP | Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial | 1.2.4.1 | 0.475 | |
| 1ni4 | TPP | Pyruvate dehydrogenase E1 component subunit beta, mitochondrial | 1.2.4.1 | 0.475 | |
| 2ejz | SAH | Diphthine synthase | / | 0.474 | |
| 3dop | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.474 | |
| 4gv0 | 8ME | Poly [ADP-ribose] polymerase 3 | 2.4.2.30 | 0.474 | |
| 4hf4 | 15H | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.472 | |
| 1lnm | DTX | Bilin-binding protein | / | 0.471 | |
| 3g1r | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.471 | |
| 4twn | B96 | Ephrin type-A receptor 3 | 2.7.10.1 | 0.470 | |
| 2dw4 | FAD | Lysine-specific histone demethylase 1A | 1 | 0.467 | |
| 2zit | NAD | Exotoxin A | 2.4.2.36 | 0.467 | |
| 2vig | FAD | Short-chain specific acyl-CoA dehydrogenase, mitochondrial | 1.3.8.1 | 0.466 | |
| 1qyx | ASD | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.465 | |
| 4lcn | GNG | Cytidine and deoxycytidylate deaminase zinc-binding region | / | 0.465 | |
| 4k4e | K4E | Tankyrase-1 | 2.4.2.30 | 0.464 | |
| 2wey | EV1 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.463 | |
| 3h4v | DVP | Pteridine reductase 1 | 1.5.1.33 | 0.463 | |
| 4bjc | RPB | Tankyrase-2 | 2.4.2.30 | 0.463 | |
| 2bfa | CB3 | Pteridine reductase 1 | 1.5.1.33 | 0.462 | |
| 4g2y | NI5 | cGMP-specific 3',5'-cyclic phosphodiesterase | / | 0.462 | |
| 2zi6 | 3D1 | Deoxycytidine kinase | 2.7.1.74 | 0.461 | |
| 3uel | A1R | Poly(ADP-ribose) glycohydrolase | 3.2.1.143 | 0.461 | |
| 3eku | CY9 | Actin-5C | / | 0.460 | |
| 2hve | ADP | Nucleoside diphosphate kinase A | 2.7.4.6 | 0.459 | |
| 2ibw | COA | Acetyl-CoA acetyltransferase, mitochondrial | 2.3.1.9 | 0.459 | |
| 4br0 | AU1 | Ectonucleoside triphosphate diphosphohydrolase 2 | / | 0.459 | |
| 4li8 | 1XQ | Tankyrase-1 | 2.4.2.30 | 0.459 | |
| 1dfo | PLG | Serine hydroxymethyltransferase | 2.1.2.1 | 0.458 | |
| 1y2d | 4DE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.458 | |
| 4jey | PLP | Acetylornithine/succinyldiaminopimelate aminotransferase | 2.6.1.11 | 0.458 | |
| 4k4f | K4F | Tankyrase-1 | 2.4.2.30 | 0.458 | |
| 2bf7 | HBI | Pteridine reductase 1 | 1.5.1.33 | 0.457 | |
| 3ce0 | P34 | Poly [ADP-ribose] polymerase 3 | 2.4.2.30 | 0.457 | |
| 4n1g | CEI | Obelin | / | 0.457 | |
| 1pr4 | MTP | Purine nucleoside phosphorylase DeoD-type | / | 0.456 | |
| 5hwr | COA | Hydroxymethylglutaryl-CoA synthase | / | 0.456 | |
| 1y2b | DEE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.455 | |
| 2c29 | NAP | Dihydroflavonol 4-reductase | / | 0.455 | |
| 3mau | EXT | Putative sphingosine-1-phosphate lyase | / | 0.455 | |
| 3ozc | 4CT | S-methyl-5'-thioadenosine phosphorylase | / | 0.455 | |
| 3l3m | A92 | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.454 | |
| 3mau | PLR | Putative sphingosine-1-phosphate lyase | / | 0.454 | |
| 3x2f | NAI | Adenosylhomocysteinase | / | 0.454 | |
| 4xbf | FAD | Lysine-specific histone demethylase 1A | 1 | 0.454 | |
| 5hwq | CAA | Hydroxymethylglutaryl-CoA synthase | / | 0.454 | |
| 1e92 | HBI | Pteridine reductase 1 | 1.5.1.33 | 0.453 | |
| 3dha | C6L | N-acyl homoserine lactonase AiiA | 3.1.1.81 | 0.452 | |
| 4pah | LNR | Phenylalanine-4-hydroxylase | 1.14.16.1 | 0.452 | |
| 1ut6 | A8N | Acetylcholinesterase | 3.1.1.7 | 0.451 | |
| 1zgb | A1E | Acetylcholinesterase | 3.1.1.7 | 0.451 | |
| 2p8u | COA | Hydroxymethylglutaryl-CoA synthase, cytoplasmic | 2.3.3.10 | 0.451 | |
| 3dyn | PCG | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.451 | |
| 3fpk | FAD | Ferredoxin-NADP reductase | / | 0.451 | |
| 3sni | 546 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.451 | |
| 3to3 | ATP | Petrobactin biosynthesis protein AsbB | / | 0.451 | |
| 3uph | 0C1 | Genome polyprotein | 2.7.7.48 | 0.451 | |
| 4lm4 | JPZ | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.451 | |
| 1xom | CIO | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.450 | |
| 4b1i | A8P | Poly(ADP-ribose) glycohydrolase | 3.2.1.143 | 0.450 | |
| 1piw | NAP | NADP-dependent alcohol dehydrogenase 6 | 1.1.1.2 | 0.449 | |
| 3uzx | AOM | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.449 | |
| 1r5h | AO2 | Methionine aminopeptidase 2 | / | 0.448 | |
| 2ovv | PFH | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.448 | |
| 2p6l | SAH | Diphthine synthase | / | 0.448 | |
| 2vd0 | D27 | Hematopoietic prostaglandin D synthase | / | 0.448 | |
| 2wd8 | VGF | Pteridine reductase | / | 0.448 | |
| 4ajm | 3A6 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.448 | |
| 3rsv | 3RS | Beta-secretase 1 | 3.4.23.46 | 0.447 | |
| 4ggz | BTN | Bll1558 protein | / | 0.447 | |
| 4jtq | NAP | Aldo-keto reductase family 1 member C2 | / | 0.447 | |
| 1q0r | AKT | Aclacinomycin methylesterase RdmC | 3.1.1.95 | 0.446 | |
| 3c49 | KU8 | Poly [ADP-ribose] polymerase 3 | 2.4.2.30 | 0.446 | |
| 3jqb | DX6 | Pteridine reductase, putative | / | 0.446 | |
| 4b1h | AR6 | Poly(ADP-ribose) glycohydrolase | 3.2.1.143 | 0.446 | |
| 4hhz | 15S | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.446 | |
| 4i9z | 5BA | cGMP-specific 3',5'-cyclic phosphodiesterase | / | 0.446 | |
| 1odc | A8B | Acetylcholinesterase | 3.1.1.7 | 0.445 | |
| 1rkp | IBM | cGMP-specific 3',5'-cyclic phosphodiesterase | / | 0.445 | |
| 1uae | UD1 | UDP-N-acetylglucosamine 1-carboxyvinyltransferase | / | 0.445 | |
| 2dsh | SAH | Diphthine synthase | / | 0.445 | |
| 2dv4 | SAH | Diphthine synthase | / | 0.445 | |
| 2vcm | M11 | Isopenicillin N synthase | 1.21.3.1 | 0.445 | |
| 3hky | IX6 | Genome polyprotein | 2.7.7.48 | 0.445 | |
| 3qpo | PFR | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.445 | |
| 1e66 | HUX | Acetylcholinesterase | 3.1.1.7 | 0.444 | |
| 1thn | ADP | Anti-sigma F factor | / | 0.444 | |
| 2wo7 | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.444 | |
| 3b6p | TMP | Three-prime repair exonuclease 1 | 3.1.11.2 | 0.444 | |
| 3b78 | NAD | Exotoxin A | 2.4.2.36 | 0.444 | |
| 3dy8 | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.444 | |
| 3tqc | ADP | Pantothenate kinase | / | 0.444 | |
| 4c2z | 646 | Glycylpeptide N-tetradecanoyltransferase 1 | / | 0.444 | |
| 4g2w | NI0 | cGMP-specific 3',5'-cyclic phosphodiesterase | / | 0.444 | |
| 4i9i | 1DY | Tankyrase-1 | 2.4.2.30 | 0.444 | |
| 4j3m | AJ8 | Tankyrase-2 | 2.4.2.30 | 0.444 | |
| 4pyo | SAH | Catechol O-methyltransferase | 2.1.1.6 | 0.444 | |
| 5ark | UMP | Ribonuclease 4 | 3.1.27 | 0.444 | |
| 1c3x | 8IG | Purine nucleoside phosphorylase | 2.4.2.1 | 0.443 | |
| 1ppj | ANY | Cytochrome b | / | 0.443 | |
| 3eq6 | BCO | Acyl-coenzyme A synthetase ACSM2A, mitochondrial | 6.2.1.2 | 0.443 | |
| 3k4s | 0MO | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.443 | |
| 3o56 | ZG1 | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.443 | |
| 3q3c | NAD | NAD-dependent L-serine dehydrogenase | / | 0.443 | |
| 3sl8 | JN7 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.443 | |
| 3wd9 | QPC | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.443 | |
| 1fw0 | KAI | Glutamate receptor 2 | / | 0.442 | |
| 1ib1 | COT | Serotonin N-acetyltransferase | / | 0.442 | |
| 2rge | GNP | GTPase HRas | / | 0.442 | |
| 2y0j | AXC | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.442 | |
| 3a27 | SAM | tRNA(Phe) (4-demethylwyosine(37)-C(7)) aminocarboxypropyltransferase | / | 0.442 | |
| 3blo | QEI | Queuine tRNA-ribosyltransferase | 2.4.2.29 | 0.442 | |
| 3otw | COA | Phosphopantetheine adenylyltransferase | / | 0.442 | |
| 3tfj | THG | Dimethylsulfonioproprionate demethylase DmdA | 2.1.1.269 | 0.442 | |
| 1osv | CHC | Bile acid receptor | / | 0.441 | |
| 1syn | F89 | Thymidylate synthase | / | 0.441 | |
| 1w6r | GNT | Acetylcholinesterase | 3.1.1.7 | 0.441 | |
| 3aiq | HBO | 4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl glucoside beta-D-glucosidase 1b, chloroplastic | 3.2.1.182 | 0.441 | |
| 3exf | TPP | Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial | 1.2.4.1 | 0.441 | |
| 3exf | TPP | Pyruvate dehydrogenase E1 component subunit beta, mitochondrial | 1.2.4.1 | 0.441 | |
| 3tp0 | FO5 | HTH-type transcriptional regulator EthR | / | 0.441 | |
| 3v0p | 4GW | Histo-blood group ABO system transferase | / | 0.441 | |
| 4bqz | GNP | Ectonucleoside triphosphate diphosphohydrolase 2 | / | 0.441 | |
| 4uaj | FAD | Na(+)-translocating NADH-quinone reductase subunit F | / | 0.441 | |
| 1qti | GNT | Acetylcholinesterase | 3.1.1.7 | 0.440 | |
| 1t57 | FMN | Conserved protein | / | 0.440 | |
| 2bfr | ADP | [Protein ADP-ribosylglutamate] hydrolase AF_1521 | 3.2.2 | 0.440 | |
| 2bif | ANP | 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 4 | 2.7.1.105 | 0.440 | |
| 2ea1 | GPG | Ribonuclease I | 3.1.27.6 | 0.440 | |
| 2wn6 | NDP | ADP-ribosyltransferase enzymatic component | / | 0.440 | |
| 3g45 | 988 | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.440 | |
| 3ix4 | TX1 | Transcriptional activator protein LasR | / | 0.440 | |
| 3tvx | PNX | cAMP-specific 3',5'-cyclic phosphodiesterase 4A | 3.1.4.53 | 0.440 | |
| 3wv9 | FEG | Hmd co-occurring protein HcgE | / | 0.440 | |
| 4l6s | 1WQ | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.440 | |
| 4ozt | P1A | Ecdysone receptor, putative | / | 0.440 |