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 |
---|---|---|---|
3il6 | B83 | 3-oxoacyl-[acyl-carrier-protein] synthase 3 |
PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
---|---|---|---|---|---|
3il6 | B83 | 3-oxoacyl-[acyl-carrier-protein] synthase 3 | / | 1.000 | |
3il5 | B82 | 3-oxoacyl-[acyl-carrier-protein] synthase 3 | / | 0.508 | |
3b9l | AZZ | Serum albumin | / | 0.486 | |
1hnh | COA | 3-oxoacyl-[acyl-carrier-protein] synthase 3 | / | 0.484 | |
3f46 | I2C | 5,10-methenyltetrahydromethanopterin hydrogenase | 1.12.98.2 | 0.483 | |
1t88 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.482 | |
4cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.482 | |
4ejm | NAP | Putative zinc-binding dehydrogenase | / | 0.479 | |
3csd | EMO | Putative ketoacyl reductase | 1.3.1 | 0.477 | |
2ylx | FAD | Phenylacetone monooxygenase | 1.14.13.92 | 0.475 | |
3h65 | I2C | 5,10-methenyltetrahydromethanopterin hydrogenase | 1.12.98.2 | 0.473 | |
3ixp | 834 | Ecdysone receptor | / | 0.473 | |
1eio | GCH | Gastrotropin | / | 0.472 | |
3daf | FEG | 5,10-methenyltetrahydromethanopterin hydrogenase | 1.12.98.2 | 0.472 | |
3v1n | HPK | 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase | 3.7.1.8 | 0.470 | |
3q9z | TXQ | Casein kinase II subunit alpha | 2.7.11.1 | 0.468 | |
1zx1 | CB1 | Ribosyldihydronicotinamide dehydrogenase [quinone] | / | 0.467 | |
2rqf | JH3 | Hemolymph juvenile hormone binding protein | / | 0.467 | |
5k2d | ZMA | Adenosine receptor A2a | / | 0.467 | |
5kp2 | COA | 3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 2 | / | 0.466 | |
1uuo | BRF | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1.3.5.2 | 0.465 | |
2idk | C2F | Glycine N-methyltransferase | 2.1.1.20 | 0.465 | |
5hs1 | VOR | Lanosterol 14-alpha demethylase | / | 0.465 | |
1cqp | 803 | Integrin alpha-L | / | 0.464 | |
1dr5 | NAP | Dihydrofolate reductase | 1.5.1.3 | 0.464 | |
1ia1 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.464 | |
2rhr | EMO | Putative ketoacyl reductase | 1.3.1 | 0.464 | |
3i8p | 840 | 3-oxoacyl-[acyl-carrier-protein] synthase 2 | 2.3.1.179 | 0.464 | |
3unj | 0BX | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.464 | |
1pq9 | 44B | Oxysterols receptor LXR-beta | / | 0.463 | |
2vb8 | TLM | 3-oxoacyl-[acyl-carrier-protein] synthase 1 | 2.3.1.41 | 0.463 | |
3nd1 | SAH | Precorrin-6A synthase (Deacetylating) | / | 0.463 | |
3eks | CY9 | Actin-5C | / | 0.462 | |
2reh | FAD | Nitroalkane oxidase | 1.7.3.1 | 0.460 | |
3dga | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.460 | |
3iae | D7K | Benzaldehyde lyase | / | 0.460 | |
4bqp | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.460 | |
4c71 | 7RD | 3-oxoacyl-ACP synthase | / | 0.460 | |
1fp2 | HMO | Isoflavone-7-O-methyltransferase 8 | 2.1.1.150 | 0.459 | |
2bxm | IMN | Serum albumin | / | 0.459 | |
2kce | D16 | Thymidylate synthase | / | 0.459 | |
3a9w | NAD | NDP-sugar epimerase | / | 0.459 | |
3ijd | C2F | Methylenetetrahydrofolate reductase | / | 0.459 | |
3uic | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.459 | |
4g1y | 0VO | Vitamin D3 receptor A | / | 0.459 | |
4lxh | C1E | Alpha/beta hydrolase fold | / | 0.459 | |
4rvu | NDP | Probable quinone reductase Qor (NADPH:quinone reductase) (Zeta-crystallin homolog protein) | / | 0.459 | |
4z34 | ON7 | Lysophosphatidic acid receptor 1 | / | 0.459 | |
1dd6 | MCI | Metallo-beta-lactamase type 2 | / | 0.458 | |
1kce | CB3 | Thymidylate synthase | / | 0.458 | |
1phe | PIY | Camphor 5-monooxygenase | 1.14.15.1 | 0.458 | |
2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.458 | |
3gy9 | COA | GCN5-related N-acetyltransferase | / | 0.458 | |
3w5h | FAD | NADH-cytochrome b5 reductase 3 | 1.6.2.2 | 0.458 | |
5jtb | ZMA | Adenosine receptor A2a | / | 0.458 | |
1mvs | DTM | Dihydrofolate reductase | 1.5.1.3 | 0.457 | |
1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.457 | |
2c59 | NAD | GDP-mannose 3,5-epimerase | 5.1.3.18 | 0.457 | |
2zb4 | 5OP | Prostaglandin reductase 2 | 1.3.1.48 | 0.457 | |
3mpi | FAD | Glutaryl-CoA dehydrogenase | 1.3.99.32 | 0.457 | |
5dg3 | U21 | Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase | / | 0.457 | |
1bvr | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.456 | |
1dr2 | TAP | Dihydrofolate reductase | 1.5.1.3 | 0.456 | |
2q9f | C3S | Cholesterol 24-hydroxylase | / | 0.456 | |
2zba | ZBA | Trichothecene 3-O-acetyltransferase | / | 0.456 | |
3gag | FMN | Putative NADH dehydrogenase NAD(P)H nitroreductase | / | 0.456 | |
3p2o | NAD | Bifunctional protein FolD | / | 0.456 | |
5a88 | ADP | Riboflavin biosynthesis protein RibF | 2.7.1.26 | 0.456 | |
1fvt | 106 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.455 | |
2i4j | DRJ | Peroxisome proliferator-activated receptor gamma | / | 0.455 | |
3fwg | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.455 | |
4z61 | ILE_THR_GLN_TYS_TYS | Phytosulfokine receptor 1 | 2.7.11.1 | 0.455 | |
4z9g | 1Q5 | Corticotropin-releasing factor receptor 1 | / | 0.455 | |
1noo | CAH | Camphor 5-monooxygenase | 1.14.15.1 | 0.454 | |
2qo9 | ANP | Ephrin type-A receptor 3 | 2.7.10.1 | 0.454 | |
2w1f | L0F | Aurora kinase A | 2.7.11.1 | 0.454 | |
4ruo | BIV | Vitamin D3 receptor A | / | 0.454 | |
1dz6 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.453 | |
1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.453 | |
3gwf | FAD | Cyclohexanone monooxygenase | / | 0.453 | |
3pgh | FLP | Prostaglandin G/H synthase 2 | 1.14.99.1 | 0.453 | |
4awo | 99B | Heat shock protein HSP 90-alpha | / | 0.453 | |
4l4x | NDP | AmphI | / | 0.453 | |
4nmd | FDA | Bifunctional protein PutA | / | 0.453 | |
4tvb | NAD | Homospermidine synthase | 2.5.1.44 | 0.453 | |
5dhg | DGV | Nociceptin receptor | / | 0.453 | |
1f12 | 3HC | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.452 | |
1hnd | COA | 3-oxoacyl-[acyl-carrier-protein] synthase 3 | / | 0.452 | |
2xvi | FAD | Putative flavin-containing monooxygenase | / | 0.452 | |
3ans | S38 | Bifunctional epoxide hydrolase 2 | 3.3.2.10 | 0.452 | |
3ha5 | SFG | Hydroxymycolate synthase MmaA4 | 2.1.1 | 0.452 | |
3eml | ZMA | Adenosine receptor A2a | / | 0.452 | |
1dkf | BMS | Retinoic acid receptor alpha | / | 0.451 | |
1n83 | CLR | Nuclear receptor ROR-alpha | / | 0.451 | |
1p0h | ACO | Mycothiol acetyltransferase | 2.3.1.189 | 0.451 | |
2f7x | 4EA | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.451 | |
2o4r | VD5 | Vitamin D3 receptor | / | 0.451 | |
3d84 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
3dag | FEG | 5,10-methenyltetrahydromethanopterin hydrogenase | 1.12.98.2 | 0.451 | |
4c58 | 824 | Cyclin-G-associated kinase | 2.7.11.1 | 0.451 | |
4ktk | KTK | Cytochrome P450 | / | 0.451 | |
4xiw | AZM | Carbonic anhydrase, alpha type | / | 0.451 | |
1ay0 | TPP | Transketolase 1 | 2.2.1.1 | 0.450 | |
1fmj | RTL | Retinol dehydratase | / | 0.450 | |
1hdc | CBO | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.450 | |
1x8l | OXR | Retinol dehydratase | / | 0.450 | |
2imf | TOM | 2-hydroxychromene-2-carboxylate isomerase | 5.99.1.4 | 0.450 | |
2oc9 | IMH | Purine nucleoside phosphorylase | 2.4.2.1 | 0.450 | |
3g0y | P9A | 3-oxoacyl-[acyl-carrier-protein] synthase 2 | 2.3.1.179 | 0.450 | |
3ngl | NAP | Bifunctional protein FolD | / | 0.450 | |
4enh | FVX | Cholesterol 24-hydroxylase | / | 0.450 | |
4l8u | 9AZ | Serum albumin | / | 0.450 | |
4mih | FAD | Pyranose 2-oxidase | 1.1.3.10 | 0.450 | |
4qem | HC4 | Phospholipase A2 VRV-PL-VIIIa | / | 0.450 | |
1dir | NAD | Dihydropteridine reductase | 1.5.1.34 | 0.449 | |
1ebl | COA | 3-oxoacyl-[acyl-carrier-protein] synthase 3 | / | 0.449 | |
1tdu | DUR | Thymidylate synthase | / | 0.449 | |
2ay8 | 4TB | Aromatic-amino-acid aminotransferase | 2.6.1.57 | 0.449 | |
2hcd | BIV | Vitamin D3 receptor A | / | 0.449 | |
2i1v | ADP | 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 | 2.7.1.105 | 0.449 | |
2x86 | ADP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.449 | |
3d4p | NAD | L-lactate dehydrogenase 1 | 1.1.1.27 | 0.449 | |
3oqk | S52 | Renin | 3.4.23.15 | 0.449 | |
3s1d | ZIR | Cytokinin dehydrogenase 1 | 1.5.99.12 | 0.449 | |
4du8 | 2P0 | Mevalonate diphosphate decarboxylase | / | 0.449 | |
5ajq | DB8 | Serine/threonine-protein kinase 10 | 2.7.11.1 | 0.449 | |
1kzj | CB3 | Thymidylate synthase | / | 0.448 | |
1osv | CHC | Bile acid receptor | / | 0.448 | |
3orf | NAD | Dihydropteridine reductase | 1.5.1.34 | 0.448 | |
3pqb | VGP | Putative oxidoreductase | / | 0.448 | |
3u9e | COA | Lmo1369 protein | / | 0.448 | |
3zw9 | NAD | Peroxisomal bifunctional enzyme | 1.1.1.35 | 0.448 | |
4a8v | 2AN | Major pollen allergen Bet v 1-J | / | 0.448 | |
4hkf | ACO | Alpha-tubulin N-acetyltransferase 1 | / | 0.448 | |
4hw3 | 19G | Induced myeloid leukemia cell differentiation protein Mcl-1 | / | 0.448 | |
4jqh | 1MF | Alr2278 protein | / | 0.448 | |
4mm7 | 29J | Na(+):neurotransmitter symporter (Snf family) | / | 0.448 | |
4nb6 | 444 | Nuclear receptor ROR-gamma | / | 0.448 | |
4tuv | CPZ | Cytochrome P450 119 | 1.14 | 0.448 | |
4z64 | ILE_THR_GLN_TYS_TYS | Phytosulfokine receptor 1 | 2.7.11.1 | 0.448 | |
5a3c | NAD | SIR2 family protein | / | 0.448 | |
1hvy | D16 | Thymidylate synthase | 2.1.1.45 | 0.447 | |
2qbl | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.447 | |
3of2 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.447 | |
3p62 | FMN | Pentaerythritol tetranitrate reductase | / | 0.447 | |
3vru | YS3 | Vitamin D3 receptor | / | 0.447 | |
4acg | 6LQ | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.447 | |
4epl | JAI | Jasmonic acid-amido synthetase JAR1 | 6.3.2 | 0.447 | |
4r1f | ADP | DNA topoisomerase 2-alpha | 5.99.1.3 | 0.447 | |
3fwj | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.446 | |
3inv | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.446 | |
3s79 | ASD | Aromatase | 1.14.14.14 | 0.446 | |
4a6b | QG8 | Gag-Pol polyprotein | 3.4.23.16 | 0.446 | |
4er6 | AW2 | Histone-lysine N-methyltransferase, H3 lysine-79 specific | 2.1.1.43 | 0.446 | |
1ai9 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
1dr3 | TAP | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
1dz8 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.445 | |
1gg5 | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.445 | |
1jq5 | NAD | Glycerol dehydrogenase | 1.1.1.6 | 0.445 | |
1ohk | COP | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
1xdd | AAY | Integrin alpha-L | / | 0.445 | |
2xvq | 9DS | Serum albumin | / | 0.445 | |
3drc | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
3f47 | I2C | 5,10-methenyltetrahydromethanopterin hydrogenase | 1.12.98.2 | 0.445 | |
3kjs | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.445 | |
3oey | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.445 | |
3up0 | D7S | aceDAF-12 | / | 0.445 | |
4ez8 | DHF | Thymidylate synthase | 2.1.1.45 | 0.445 | |
4i6g | FAD | Cryptochrome-2 | / | 0.445 | |
4iah | 1DX | Alr2278 protein | / | 0.445 | |
5k2b | ZMA | Adenosine receptor A2a | / | 0.445 | |
4k5y | 1Q5 | Corticotropin-releasing factor receptor 1 | / | 0.445 | |
1dhr | NAD | Dihydropteridine reductase | 1.5.1.34 | 0.444 | |
1q4l | 679 | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.444 | |
1y2c | 3DE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.444 | |
2ejv | NAD | L-threonine 3-dehydrogenase | / | 0.444 | |
3lqf | NAD | Galactitol dehydrogenase | / | 0.444 | |
3s7a | 684 | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
4c6z | TLE | 3-oxoacyl-ACP synthase | / | 0.444 | |
4g47 | TZF | Mycocyclosin synthase | 1.14.21.9 | 0.444 | |
4ia3 | BIV | Vitamin D3 receptor A | / | 0.444 | |
4obu | PLP | Pyridoxal-dependent decarboxylase domain protein | / | 0.444 | |
4oe4 | NAD | Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial | 1.2.1.88 | 0.444 | |
5bsg | NAP | Pyrroline-5-carboxylate reductase | / | 0.444 | |
3pwh | ZMA | Adenosine receptor A2a | / | 0.444 | |
1ndz | FR5 | Adenosine deaminase | 3.5.4.4 | 0.443 | |
1pd9 | CO4 | Dihydrofolate reductase | 1.5.1.3 | 0.443 | |
2ij7 | TPF | Mycocyclosin synthase | 1.14.21.9 | 0.443 | |
2ix5 | FAD | Acyl-coenzyme A oxidase 4, peroxisomal | 1.3.3.6 | 0.443 | |
2j14 | GNI | Peroxisome proliferator-activated receptor delta | / | 0.443 | |
3ac1 | KZI | Tyrosine-protein kinase Lck | 2.7.10.2 | 0.443 | |
3ey4 | 352 | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.443 | |
3had | NAD | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.443 | |
3qw4 | U5P | Orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative | / | 0.443 | |
3r35 | 4CO | 4-hydroxybenzoyl-CoA thioesterase | 3.1.2.23 | 0.443 | |
4bkz | 1WS | Maternal embryonic leucine zipper kinase | 2.7.11.1 | 0.443 | |
4g48 | PZB | Mycocyclosin synthase | 1.14.21.9 | 0.443 | |
4h4y | NAP | Biphenyl dioxygenase ferredoxin reductase subunit | / | 0.443 | |
4hbm | 0Y7 | E3 ubiquitin-protein ligase Mdm2 | 6.3.2 | 0.443 | |
4xwt | U5P | Ribonuclease J | / | 0.443 | |
4xnw | 2ID | P2Y purinoceptor 1 | / | 0.443 | |
1fpq | SAM | Isoliquiritigenin 2'-O-methyltransferase | / | 0.442 | |
1ie9 | VDX | Vitamin D3 receptor | / | 0.442 | |
1jpa | ANP | Ephrin type-B receptor 2 | 2.7.10.1 | 0.442 | |
1x2h | LPA | Lipoate-protein ligase A | 6.3.1.20 | 0.442 | |
2fr0 | NDP | 6-deoxyerythronolide-B synthase EryA1, modules 1 and 2 | / | 0.442 | |
2has | C3O | Vitamin D3 receptor | / | 0.442 | |
2itu | ITQ | Epidermal growth factor receptor | 2.7.10.1 | 0.442 | |
2z3u | CRR | Cytochrome P450 | / | 0.442 | |
3ozd | 4CT | S-methyl-5'-thioadenosine phosphorylase | / | 0.442 | |
3r7c | FAD | FAD-linked sulfhydryl oxidase ALR | 1.8.3.2 | 0.442 | |
4dti | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.442 | |
4g7g | VFV | Lanosterol 14-alpha-demethylase | / | 0.442 | |
4l6g | CNL | 1,8-cineole 2-endo-monooxygenase | 1.14.13.156 | 0.442 | |
1f4f | TP3 | Thymidylate synthase | / | 0.441 | |
1o76 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.441 | |
1rd4 | L08 | Integrin alpha-L | / | 0.441 | |
1yrd | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.441 | |
2g97 | DGB | Nicotinamide phosphoribosyltransferase | 2.4.2.12 | 0.441 | |
2iw8 | 4SP | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.441 | |
2o23 | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.441 | |
2qbo | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.441 | |
2z6j | TUI | 2-nitropropane dioxygenase | / | 0.441 | |
3d80 | Q22 | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
3eai | 328 | Nitric oxide synthase, inducible | 1.14.13.39 | 0.441 | |
3sdk | P3N | Proteasome subunit beta type-5 | 3.4.25.1 | 0.441 | |
3sdk | P3N | Proteasome subunit beta type-6 | 3.4.25.1 | 0.441 | |
4b4o | NDP | Epimerase family protein SDR39U1 | / | 0.441 | |
4n5n | NAP | Acetoacetyl-CoA reductase | 1.1.1.36 | 0.441 | |
5a4k | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.441 | |
1ci7 | UMP | Thymidylate synthase | 2.1.1.45 | 0.440 | |
1drh | NAP | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
1nzf | UPG | DNA beta-glucosyltransferase | / | 0.440 | |
1pq6 | 965 | Oxysterols receptor LXR-beta | / | 0.440 | |
1rx1 | NAP | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
2abb | FMN | Pentaerythritol tetranitrate reductase | / | 0.440 | |
2nry | STU | Interleukin-1 receptor-associated kinase 4 | 2.7.11.1 | 0.440 | |
2ylr | FAD | Phenylacetone monooxygenase | 1.14.13.92 | 0.440 | |
2ylz | FAD | Phenylacetone monooxygenase | 1.14.13.92 | 0.440 | |
2znp | K55 | Peroxisome proliferator-activated receptor delta | / | 0.440 | |
3ibq | ATP | Pyridoxal kinase | / | 0.440 | |
3kjm | 245 | Cytokinin dehydrogenase 1 | 1.5.99.12 | 0.440 | |
3oom | 507 | Activin receptor type-1 | 2.7.11.30 | 0.440 | |
3r3b | 4CO | 4-hydroxybenzoyl-CoA thioesterase | 3.1.2.23 | 0.440 | |
5cpb | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.440 | |
5cvh | ADP | Casein kinase II subunit alpha | 2.7.11.1 | 0.440 |