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 |
---|---|---|---|
4bmz | MTA | Aminodeoxyfutalosine nucleosidase |
PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
---|---|---|---|---|---|
4bmz | MTA | Aminodeoxyfutalosine nucleosidase | / | 1.000 | |
3eei | MTM | 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase | / | 0.572 | |
1y6r | MTM | 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase | 3.2.2.9 | 0.569 | |
1zos | MTM | 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase | / | 0.555 | |
4x24 | TDI | 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase | / | 0.528 | |
1y6q | TDI | 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase | 3.2.2.9 | 0.515 | |
1o6q | R17 | Squalene--hopene cyclase | 4.2.1.129 | 0.500 | |
2ouy | CMP | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.493 | |
1jtq | LY3 | Thymidylate synthase | / | 0.488 | |
1syn | F89 | Thymidylate synthase | / | 0.487 | |
1nc1 | MTH | 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase | 3.2.2.9 | 0.485 | |
2yis | I46 | Mitogen-activated protein kinase 14 | / | 0.484 | |
3exh | TPP | Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial | 1.2.4.1 | 0.483 | |
3exh | TPP | Pyruvate dehydrogenase E1 component subunit beta, mitochondrial | 1.2.4.1 | 0.483 | |
1y2b | DEE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.479 | |
3gyt | DL4 | Nuclear hormone receptor of the steroid/thyroid hormone receptors superfamily | / | 0.477 | |
1zq5 | E04 | Aldo-keto reductase family 1 member C3 | / | 0.475 | |
2uuk | 897 | Prothrombin | 3.4.21.5 | 0.474 | |
4eh8 | IRG | Mitogen-activated protein kinase 14 | / | 0.473 | |
2a57 | CRM | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.472 | |
4jv4 | 1OR | cAMP-dependent protein kinase type I-alpha regulatory subunit | / | 0.472 | |
4zth | GG5 | Mitogen-activated protein kinase 14 | / | 0.472 | |
1y2k | 7DE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.471 | |
3tky | N7I | (Iso)eugenol O-methyltransferase | 2.1.1.146 | 0.470 | |
1nqu | RDL | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.469 | |
2fzj | DH3 | Dihydrofolate reductase | 1.5.1.3 | 0.469 | |
3c36 | KAI | Glutamate receptor ionotropic, kainate 1 | / | 0.469 | |
1c3x | 8IG | Purine nucleoside phosphorylase | 2.4.2.1 | 0.468 | |
1d3d | BZT | Prothrombin | 3.4.21.5 | 0.468 | |
3pg3 | DG7 | Mitogen-activated protein kinase 14 | / | 0.468 | |
1dls | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.467 | |
2h3w | HC5 | Carnitine O-acetyltransferase | 2.3.1.7 | 0.467 | |
3anm | NDP | 1-deoxy-D-xylulose 5-phosphate reductoisomerase | 1.1.1.267 | 0.467 | |
1h35 | R01 | Squalene--hopene cyclase | 4.2.1.129 | 0.466 | |
1nqv | LMZ | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.466 | |
4fam | 0SZ | Aldo-keto reductase family 1 member C3 | / | 0.466 | |
4kd7 | 9DR | Dihydrofolate reductase | 1.5.1.3 | 0.466 | |
4pnm | NU1 | Tankyrase-2 | 2.4.2.30 | 0.466 | |
2ouu | 35G | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.465 | |
3zei | AWH | O-acetylserine sulfhydrylase | / | 0.465 | |
2c42 | TPP | Pyruvate synthase | / | 0.464 | |
1ozq | PRF | Queuine tRNA-ribosyltransferase | 2.4.2.29 | 0.463 | |
1q4w | DQU | Queuine tRNA-ribosyltransferase | 2.4.2.29 | 0.463 | |
3qp8 | HL0 | Transcriptional activator, LuxR/UhpA family of regulators | / | 0.463 | |
4aoa | IK2 | Beta-phenylalanine transaminase | 2.6.1 | 0.463 | |
1nce | CB3 | Thymidylate synthase | / | 0.461 | |
2bbq | PFG | Thymidylate synthase | / | 0.461 | |
3rl4 | 5GP | Metallophosphoesterase MPPED2 | 3.1 | 0.460 | |
1rvv | INI | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.459 | |
1tsd | F89 | Thymidylate synthase | / | 0.459 | |
2z2w | 770 | Wee1-like protein kinase | 2.7.10.2 | 0.459 | |
3o56 | ZG1 | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.459 | |
3um5 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.459 | |
4eh4 | IRG | Mitogen-activated protein kinase 14 | / | 0.459 | |
1f28 | F89 | Thymidylate synthase | 2.1.1.45 | 0.458 | |
1zkl | IBM | High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A | 3.1.4.53 | 0.458 | |
3dp9 | BIG | 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase | / | 0.458 | |
3njo | PYV | Abscisic acid receptor PYR1 | / | 0.458 | |
3roc | 29B | Mitogen-activated protein kinase 14 | / | 0.458 | |
1mvt | DTM | Dihydrofolate reductase | 1.5.1.3 | 0.457 | |
2ovv | PFH | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.457 | |
2xtb | KRM | Adenosine kinase, putative | / | 0.457 | |
4eh2 | IRG | Mitogen-activated protein kinase 14 | / | 0.457 | |
4o9c | COA | Acetyl-CoA acetyltransferase | 2.3.1.9 | 0.457 | |
2hzq | STR | Apolipoprotein D | / | 0.456 | |
3ojg | HL4 | Phosphotriesterase | / | 0.456 | |
4wkb | TDI | 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase | / | 0.456 | |
1h36 | R88 | Squalene--hopene cyclase | 4.2.1.129 | 0.455 | |
1ohj | COP | Dihydrofolate reductase | 1.5.1.3 | 0.455 | |
1t4c | COA | Formyl-CoA:oxalate CoA-transferase | / | 0.455 | |
1x2h | LPA | Lipoate-protein ligase A | 6.3.1.20 | 0.455 | |
2e1z | B4P | Propionate kinase | / | 0.455 | |
2wks | CB6 | 3-dehydroquinate dehydratase | 4.2.1.10 | 0.455 | |
4at4 | T6E | BDNF/NT-3 growth factors receptor | 2.7.10.1 | 0.455 | |
1dr3 | TAP | Dihydrofolate reductase | 1.5.1.3 | 0.454 | |
1ygj | RMC | Pyridoxal kinase | 2.7.1.35 | 0.454 | |
2gqg | 1N1 | Tyrosine-protein kinase ABL1 | 2.7.10.2 | 0.454 | |
3af1 | GDP | Pantothenate kinase | 2.7.1.33 | 0.454 | |
3gc4 | AAQ | Queuine tRNA-ribosyltransferase | 2.4.2.29 | 0.454 | |
3hv3 | R49 | Mitogen-activated protein kinase 14 | / | 0.454 | |
3p2o | NAD | Bifunctional protein FolD | / | 0.454 | |
4kbn | 25U | Dihydrofolate reductase | 1.5.1.3 | 0.454 | |
1sjw | NGV | Nogalonic acid methyl ester cyclase | / | 0.453 | |
1uae | UD1 | UDP-N-acetylglucosamine 1-carboxyvinyltransferase | / | 0.453 | |
3n0h | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.453 | |
3ns2 | PYV | Abscisic acid receptor PYL2 | / | 0.453 | |
3vf6 | 0H6 | Glucokinase | 2.7.1.2 | 0.453 | |
4hqv | QEI | Queuine tRNA-ribosyltransferase | 2.4.2.29 | 0.453 | |
4l8v | NAP | Inositol 2-dehydrogenase/D-chiro-inositol 3-dehydrogenase | 1.1.1.18 | 0.453 | |
4pl9 | ADP | Ethylene receptor 1 | / | 0.453 | |
2gev | COK | Pantothenate kinase | 2.7.1.33 | 0.452 | |
3cqe | P91 | Wee1-like protein kinase | 2.7.10.2 | 0.452 | |
3k3i | I46 | Mitogen-activated protein kinase 14 | / | 0.452 | |
4az0 | S61 | Lysosomal protective protein | 3.4.16.5 | 0.452 | |
4dsb | A8S | Abscisic acid receptor PYL3 | / | 0.452 | |
4heu | 15J | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.452 | |
4rh1 | 0TT | Spore photoproduct lyase | / | 0.452 | |
1drf | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
1kyx | CRM | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.451 | |
1t7o | 152 | Carnitine O-acetyltransferase | 2.3.1.7 | 0.451 | |
3c3e | FO1 | 2-phospho-L-lactate transferase | / | 0.451 | |
3gcq | 1BU | Mitogen-activated protein kinase 14 | / | 0.451 | |
3hf6 | LX0 | Tryptophan 5-hydroxylase 1 | 1.14.16.4 | 0.451 | |
3n87 | N87 | 3-dehydroquinate dehydratase | 4.2.1.10 | 0.451 | |
4oma | LCS | Methionine gamma-lyase | / | 0.451 | |
2c97 | JCL | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.450 | |
3ge7 | AFQ | Queuine tRNA-ribosyltransferase | 2.4.2.29 | 0.450 | |
4aql | TXC | Guanine deaminase | 3.5.4.3 | 0.450 | |
1uwh | BAX | Serine/threonine-protein kinase B-raf | 2.7.11.1 | 0.449 | |
1w19 | T5P | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.449 | |
3r43 | ID8 | Aldo-keto reductase family 1 member C3 | / | 0.449 | |
3sl8 | JN7 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.449 | |
4dhy | S41 | Glucokinase | 2.7.1.2 | 0.449 | |
2in6 | 839 | Wee1-like protein kinase | 2.7.10.2 | 0.448 | |
2psj | CEI | Renilla-luciferin 2-monooxygenase | 1.13.12.5 | 0.448 | |
3s41 | S41 | Glucokinase | 2.7.1.2 | 0.448 | |
4feu | 537 | Aminoglycoside 3'-phosphotransferase AphA1-IAB | / | 0.448 | |
4gh3 | 0EV | Queuine tRNA-ribosyltransferase | 2.4.2.29 | 0.448 | |
1gky | 5GP | Guanylate kinase | 2.7.4.8 | 0.447 | |
1ohk | COP | Dihydrofolate reductase | 1.5.1.3 | 0.447 | |
2fm0 | M98 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.447 | |
2jc6 | QPP | Calcium/calmodulin-dependent protein kinase type 1D | 2.7.11.17 | 0.447 | |
2y60 | M8F | Isopenicillin N synthase | 1.21.3.1 | 0.447 | |
3hll | I46 | Mitogen-activated protein kinase 14 | / | 0.447 | |
4af7 | FAD | Ferredoxin--NADP reductase, leaf isozyme, chloroplastic | 1.18.1.2 | 0.447 | |
4ajd | F04 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.447 | |
4g95 | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.447 | |
4gts | 7TP | Geranylgeranyl transferase type-2 subunit beta | 2.5.1.60 | 0.447 | |
4kak | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.447 | |
4qii | 2NE | 1,4-dihydroxy-2-naphthoyl-CoA synthase | / | 0.447 | |
1f3e | DPZ | Queuine tRNA-ribosyltransferase | 2.4.2.29 | 0.446 | |
1fml | RTL | Retinol dehydratase | / | 0.446 | |
1fvp | FMA | Non-fluorescent flavoprotein | / | 0.446 | |
1j3j | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.446 | |
1xor | ZAR | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.446 | |
2j7c | IDE | Beta-glucosidase A | 3.2.1.21 | 0.446 | |
2pa7 | TYD | TDP-4-oxo-6-deoxy-alpha-D-glucose-3,4-oxoisomerase | 5.3.2.3 | 0.446 | |
2z3u | CRR | Cytochrome P450 | / | 0.446 | |
3l3r | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.446 | |
4ddl | 0JQ | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.446 | |
4fhf | 0TT | Spore photoproduct lyase | / | 0.446 | |
4lsa | BLD | Protein BRASSINOSTEROID INSENSITIVE 1 | 2.7.10.1 | 0.446 | |
1jom | FFO | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
1ndy | FR3 | Adenosine deaminase | 3.5.4.4 | 0.445 | |
1z71 | L17 | Prothrombin | 3.4.21.5 | 0.445 | |
2b36 | 5PP | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.445 | |
3eta | 351 | Insulin receptor | 2.7.10.1 | 0.445 | |
3qpn | PFK | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.445 | |
3qpp | PFW | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.445 | |
4fk3 | 325 | Serine/threonine-protein kinase B-raf | 2.7.11.1 | 0.445 | |
4gi4 | 0EX | Queuine tRNA-ribosyltransferase | 2.4.2.29 | 0.445 | |
4m6k | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
1dhf | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
1kmv | LII | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
1y2e | 5DE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.444 | |
1zkn | IBM | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.444 | |
2bra | FAD | [F-actin]-methionine sulfoxide oxidase MICAL1 | 1.14.13 | 0.444 | |
2c9b | PUG | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.444 | |
2vcm | M11 | Isopenicillin N synthase | 1.21.3.1 | 0.444 | |
2y6f | M9F | Isopenicillin N synthase | 1.21.3.1 | 0.444 | |
3sni | 546 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.444 | |
4ajf | F03 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.444 | |
1blz | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.443 | |
1efy | BZC | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.443 | |
1hfr | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.443 | |
1pq9 | 44B | Oxysterols receptor LXR-beta | / | 0.443 | |
1s3v | TQD | Dihydrofolate reductase | 1.5.1.3 | 0.443 | |
2ji9 | ADP | Oxalyl-CoA decarboxylase | 4.1.1.8 | 0.443 | |
2mok | FMN | Flavodoxin 1 | / | 0.443 | |
2poq | ISD | Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase | 1.3.1.20 | 0.443 | |
3aiv | HBO | 4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl glucoside beta-D-glucosidase, chloroplastic | 3.2.1.182 | 0.443 | |
3ghv | GHC | Dihydrofolate reductase | 1.5.1.3 | 0.443 | |
3gyu | DL7 | Nuclear hormone receptor of the steroid/thyroid hormone receptors superfamily | / | 0.443 | |
3hl7 | I46 | Mitogen-activated protein kinase 14 | / | 0.443 | |
3q2j | CKI | Aminoglycoside 3'-phosphotransferase | 2.7.1.95 | 0.443 | |
4hsh | QEI | Queuine tRNA-ribosyltransferase | 2.4.2.29 | 0.443 | |
4kdr | SAH | Ubiquinone biosynthesis O-methyltransferase | / | 0.443 | |
4keb | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.443 | |
5agy | GTB | Tau class glutathione S-transferase | / | 0.443 | |
1soj | IBM | cGMP-inhibited 3',5'-cyclic phosphodiesterase B | 3.1.4.17 | 0.442 | |
1t0i | FMN | NAD(P)H-dependent FMN reductase LOT6 | / | 0.442 | |
1uhl | MEI | Retinoic acid receptor RXR-beta | / | 0.442 | |
2c3p | 1TP | Pyruvate synthase | / | 0.442 | |
2og8 | 1N8 | Tyrosine-protein kinase Lck | 2.7.10.2 | 0.442 | |
3f3y | 4OA | Bile salt sulfotransferase | 2.8.2.14 | 0.442 | |
3k45 | 51P | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
3nu0 | 3TU | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
4kfj | 1R0 | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
4oxy | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.442 | |
4tjy | 3GN | Tankyrase-2 | 2.4.2.30 | 0.442 | |
1q63 | AIQ | Queuine tRNA-ribosyltransferase | 2.4.2.29 | 0.441 | |
1ro6 | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.441 | |
1zis | INI | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.441 | |
2c9d | PHR | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.441 | |
2ivp | ATP | tRNA N6-adenosine threonylcarbamoyltransferase | / | 0.441 | |
3p9t | TCL | Repressor | / | 0.441 | |
3qp6 | HL6 | Transcriptional activator, LuxR/UhpA family of regulators | / | 0.441 | |
4ixg | IXG | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
1dis | BDM | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
1t4v | 14A | Prothrombin | 3.4.21.5 | 0.440 | |
2o1x | TDP | 1-deoxy-D-xylulose-5-phosphate synthase | 2.2.1.7 | 0.440 | |
2o8h | 227 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.440 | |
2xkc | 4VQ | Serine/threonine-protein kinase Nek2 | 2.7.11.1 | 0.440 | |
3hxd | BD7 | Geranylgeranyl transferase type-2 subunit beta | 2.5.1.60 | 0.440 | |
3l77 | NJP | Short-chain alcohol dehydrogenase | / | 0.440 | |
4dli | IRG | Mitogen-activated protein kinase 14 | / | 0.440 | |
4h7z | GUN | Queuine tRNA-ribosyltransferase | 2.4.2.29 | 0.440 | |
4ksp | 1SU | Serine/threonine-protein kinase B-raf | 2.7.11.1 | 0.440 | |
5bp9 | SAH | Putative methyltransferase protein | / | 0.440 |