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 |
|---|---|---|---|
| 3tam | M06 | Gag-Pol polyprotein | 2.7.7.49 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3tam | M06 | Gag-Pol polyprotein | 2.7.7.49 | 1.000 | |
| 3t19 | 5MA | Gag-Pol polyprotein | 2.7.7.49 | 0.756 | |
| 3t1a | 5MA | Gag-Pol polyprotein | 2.7.7.49 | 0.704 | |
| 3drp | R8E | Gag-Pol polyprotein | 2.7.7.49 | 0.669 | |
| 3lak | KR1 | Gag-Pol polyprotein | 2.7.7.49 | 0.655 | |
| 3c6t | M14 | Gag-Pol polyprotein | 2.7.7.49 | 0.648 | |
| 3dya | PZL | Gag-Pol polyprotein | 2.7.7.49 | 0.639 | |
| 4h4m | 494 | Gag-Pol polyprotein | 2.7.7.49 | 0.639 | |
| 2ynh | EUR | Gag-Pol polyprotein | 2.7.7.49 | 0.622 | |
| 4rw4 | 494 | Gag-Pol polyprotein | 2.7.7.49 | 0.620 | |
| 4h4o | 506 | Gag-Pol polyprotein | 2.7.7.49 | 0.618 | |
| 3c6u | M22 | Gag-Pol polyprotein | 2.7.7.49 | 0.606 | |
| 2ynf | WHU | Gag-Pol polyprotein | 2.7.7.49 | 0.602 | |
| 2be2 | R22 | Gag-Pol polyprotein | 2.7.7.49 | 0.601 | |
| 4rw6 | 494 | Gag-Pol polyprotein | 2.7.7.49 | 0.597 | |
| 3dok | GWJ | Pol protein | / | 0.578 | |
| 3drr | R8E | Gag-Pol polyprotein | 2.7.7.49 | 0.573 | |
| 3lal | KRV | Gag-Pol polyprotein | 2.7.7.49 | 0.569 | |
| 3dle | GFA | Gag-Pol polyprotein | 2.7.7.49 | 0.567 | |
| 4mfb | 29T | Gag-Pol polyprotein | 2.7.7.49 | 0.564 | |
| 3dmj | GWE | Pol protein | / | 0.561 | |
| 3e01 | PZ2 | Gag-Pol polyprotein | 2.7.7.49 | 0.560 | |
| 2b5j | 3AC | Gag-Pol polyprotein | 2.7.7.49 | 0.558 | |
| 3dlg | GWE | Gag-Pol polyprotein | 2.7.7.49 | 0.552 | |
| 1rt1 | MKC | Gag-Pol polyprotein | 2.7.7.49 | 0.542 | |
| 2won | ZZE | Gag-Pol polyprotein | 2.7.7.49 | 0.532 | |
| 3lam | KRP | Gag-Pol polyprotein | 2.7.7.49 | 0.530 | |
| 3di6 | PDZ | Gag-Pol polyprotein | 2.7.7.49 | 0.517 | |
| 3dol | GWI | Pol protein | / | 0.512 | |
| 1jla | TNK | Gag-Pol polyprotein | 2.7.7.49 | 0.509 | |
| 3i0s | RT7 | Gag-Pol polyprotein | 2.7.7.49 | 0.496 | |
| 1rti | HEF | Gag-Pol polyprotein | 2.7.7.49 | 0.488 | |
| 4i2p | G73 | Gag-Pol polyprotein | 2.7.7.49 | 0.485 | |
| 1s1v | TNK | Gag-Pol polyprotein | 2.7.7.49 | 0.472 | |
| 3qpn | PFK | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.472 | |
| 4j6b | PLO | Cytochrome P450 monooxygenase | / | 0.468 | |
| 4jbt | ASD | Cytochrome P450 monooxygenase | / | 0.468 | |
| 4j6d | TES | Cytochrome P450 monooxygenase | / | 0.467 | |
| 4j6c | STR | Cytochrome P450 monooxygenase | / | 0.465 | |
| 2hw2 | RFP | Rifampin ADP-ribosyl transferase | / | 0.463 | |
| 4h6r | FDA | Proline dehydrogenase | / | 0.463 | |
| 1c1c | 612 | Gag-Pol polyprotein | 2.7.7.49 | 0.462 | |
| 4q0a | 4OA | Vitamin D3 receptor A | / | 0.461 | |
| 5d7p | OCZ | NAD-dependent protein deacetylase sirtuin-2 | 3.5.1 | 0.461 | |
| 2vf0 | F89 | Thymidylate synthase | / | 0.459 | |
| 3cwk | REA | Cellular retinoic acid-binding protein 2 | / | 0.459 | |
| 4mr6 | 1K0 | Bromodomain-containing protein 2 | / | 0.459 | |
| 2o4r | VD5 | Vitamin D3 receptor | / | 0.458 | |
| 4b0j | 3MQ | 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase | 4.2.1.59 | 0.458 | |
| 2ovy | PFJ | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.457 | |
| 2rki | TT1 | Gag-Pol polyprotein | 2.7.7.49 | 0.457 | |
| 4wa9 | AXI | Tyrosine-protein kinase ABL1 | 2.7.10.2 | 0.456 | |
| 1og5 | SWF | Cytochrome P450 2C9 | / | 0.455 | |
| 3bgr | T27 | Gag-Pol polyprotein | 2.7.7.49 | 0.455 | |
| 4fny | I3K | ALK tyrosine kinase receptor | 2.7.10.1 | 0.455 | |
| 1fm6 | 9CR | Retinoic acid receptor RXR-alpha | / | 0.454 | |
| 3oaf | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.454 | |
| 4nkv | AER | Steroid 17-alpha-hydroxylase/17,20 lyase | / | 0.454 | |
| 1db1 | VDX | Vitamin D3 receptor | / | 0.453 | |
| 3dr1 | C5D | Vitamin D3 receptor A | / | 0.453 | |
| 3o56 | ZG1 | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.453 | |
| 1dna | CB3 | Thymidylate synthase | / | 0.452 | |
| 1e7a | PFL | Serum albumin | / | 0.452 | |
| 3a1l | 2CC | Cytochrome P450 | / | 0.452 | |
| 3h1j | SMA | Cytochrome b | / | 0.452 | |
| 3ozd | 4CT | S-methyl-5'-thioadenosine phosphorylase | / | 0.452 | |
| 3qpp | PFW | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.452 | |
| 2ops | HBQ | Gag-Pol polyprotein | 2.7.7.49 | 0.451 | |
| 5env | NAD | Alcohol dehydrogenase 1 | 1.1.1.1 | 0.451 | |
| 3pwh | ZMA | Adenosine receptor A2a | / | 0.451 | |
| 1tlc | F89 | Thymidylate synthase | / | 0.450 | |
| 2jih | 097 | A disintegrin and metalloproteinase with thrombospondin motifs 1 | 3.4.24 | 0.450 | |
| 3dho | B2M | Streptogramin A acetyltransferase | 2.3.1 | 0.450 | |
| 3h0a | 9RA | Retinoic acid receptor RXR-alpha | / | 0.450 | |
| 3ruk | AER | Steroid 17-alpha-hydroxylase/17,20 lyase | / | 0.450 | |
| 3g4i | D71 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.449 | |
| 1tvr | TB9 | Gag-Pol polyprotein | 2.7.7.49 | 0.448 | |
| 2aqk | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.448 | |
| 2yiu | SMA | Cytochrome b | / | 0.448 | |
| 3nr4 | PYV | Abscisic acid receptor PYL2 | / | 0.448 | |
| 3q7d | NPX | Prostaglandin G/H synthase 2 | 1.14.99.1 | 0.448 | |
| 4jib | 1L6 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 3.1.4.17 | 0.448 | |
| 1fp2 | HMO | Isoflavone-7-O-methyltransferase 8 | 2.1.1.150 | 0.447 | |
| 1uyk | PUX | Heat shock protein HSP 90-alpha | / | 0.447 | |
| 4mvh | 2F5 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.447 | |
| 3vt7 | VDX | Vitamin D3 receptor | / | 0.446 | |
| 4ia3 | BIV | Vitamin D3 receptor A | / | 0.446 | |
| 4ib4 | ERM | 5-hydroxytryptamine receptor 2B | / | 0.446 | |
| 4iui | 1GQ | Estrogen receptor | / | 0.446 | |
| 4jap | COA | Alpha-pyrone synthesis polyketide synthase-like Pks11 | 2.3.1 | 0.446 | |
| 4nky | 3QZ | Steroid 17-alpha-hydroxylase/17,20 lyase | / | 0.446 | |
| 4qa0 | SHH | Histone deacetylase 8 | 3.5.1.98 | 0.446 | |
| 1tl3 | H20 | Gag-Pol polyprotein | 2.7.7.49 | 0.445 | |
| 2h9i | EAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.445 | |
| 3hcr | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.445 | |
| 3wmx | NAD | NAD dependent epimerase/dehydratase | / | 0.445 | |
| 4fhi | 0S4 | Vitamin D3 receptor A | / | 0.445 | |
| 4muw | 2F4 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.445 | |
| 1cbq | RE9 | Cellular retinoic acid-binding protein 2 | / | 0.444 | |
| 1dxo | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.444 | |
| 1kms | LIH | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 1ml6 | GBX | Glutathione S-transferase A2 | 2.5.1.18 | 0.444 | |
| 2r3y | VAL_TYR_TRP_PHE | Serine endoprotease DegS | 3.4.21.107 | 0.444 | |
| 3cx5 | SMA | Cytochrome b | / | 0.444 | |
| 3dy8 | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.444 | |
| 3h6k | 33T | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.444 | |
| 3oey | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.444 | |
| 4gh6 | LUO | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.444 | |
| 4heu | 15J | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.444 | |
| 1mp0 | NAD | Alcohol dehydrogenase class-3 | 1.1.1.1 | 0.443 | |
| 3vrw | YS5 | Vitamin D3 receptor | / | 0.443 | |
| 3vt6 | 5YI | Vitamin D3 receptor | / | 0.443 | |
| 4g47 | TZF | Mycocyclosin synthase | 1.14.21.9 | 0.443 | |
| 5k2b | ZMA | Adenosine receptor A2a | / | 0.443 | |
| 1dr5 | NAP | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 1m78 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 3bzu | A21 | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.442 | |
| 3vt9 | YI4 | Vitamin D3 receptor | / | 0.442 | |
| 3w0a | DS5 | Vitamin D3 receptor | / | 0.442 | |
| 3cjg | KIM | Vascular endothelial growth factor receptor 2 | 2.7.10.1 | 0.441 | |
| 4ite | TEY | Vitamin D3 receptor | / | 0.441 | |
| 1rjk | VDZ | Vitamin D3 receptor | / | 0.440 | |
| 1rx1 | NAP | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
| 1w1r | ZEA | Cytokinin dehydrogenase 1 | 1.5.99.12 | 0.440 | |
| 2zb4 | 5OP | Prostaglandin reductase 2 | 1.3.1.48 | 0.440 | |
| 3c3x | NAP | Eugenol synthase 1 | 1.1.1.318 | 0.440 | |
| 3otq | MZL | Bifunctional epoxide hydrolase 2 | 3.3.2.10 | 0.440 | |
| 3w5t | LHP | Vitamin D3 receptor | / | 0.440 | |
| 4i9i | 1DY | Tankyrase-1 | 2.4.2.30 | 0.440 | |
| 4l0q | NAD | Alcohol dehydrogenase class-3 | / | 0.440 |