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 |
---|---|---|---|
1t40 | ID5 | Aldose reductase | 1.1.1.21 |
PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
---|---|---|---|---|---|
1t40 | ID5 | Aldose reductase | 1.1.1.21 | 1.000 | |
2pdm | ZST | Aldose reductase | 1.1.1.21 | 0.765 | |
1z89 | 62P | Aldose reductase | 1.1.1.21 | 0.758 | |
2iki | 388 | Aldose reductase | 1.1.1.21 | 0.742 | |
1z3n | 3NA | Aldose reductase | 1.1.1.21 | 0.732 | |
2dv0 | ZST | Aldose reductase | 1.1.1.21 | 0.703 | |
2ikj | 393 | Aldose reductase | 1.1.1.21 | 0.702 | |
2hv5 | ZST | Aldose reductase | 1.1.1.21 | 0.698 | |
3g5e | Q74 | Aldose reductase | 1.1.1.21 | 0.680 | |
2fz9 | ZST | Aldose reductase | 1.1.1.21 | 0.672 | |
2i16 | LDT | Aldose reductase | 1.1.1.21 | 0.669 | |
2dux | ZST | Aldose reductase | 1.1.1.21 | 0.662 | |
1t41 | ID5 | Aldose reductase | 1.1.1.21 | 0.659 | |
4yu1 | 53N | Aldose reductase | 1.1.1.21 | 0.657 | |
2qxw | LDT | Aldose reductase | 1.1.1.21 | 0.656 | |
3lql | LDT | Aldose reductase | 1.1.1.21 | 0.653 | |
4gca | 2X9 | Aldose reductase | 1.1.1.21 | 0.652 | |
2ikh | LIT | Aldose reductase | 1.1.1.21 | 0.651 | |
3m4h | 388 | Aldose reductase | 1.1.1.21 | 0.650 | |
2fz8 | ZST | Aldose reductase | 1.1.1.21 | 0.647 | |
2pdx | ZST | Aldose reductase | 1.1.1.21 | 0.646 | |
2pdc | 393 | Aldose reductase | 1.1.1.21 | 0.644 | |
3ld5 | LDT | Aldose reductase | 1.1.1.21 | 0.639 | |
3lbo | LDT | Aldose reductase | 1.1.1.21 | 0.638 | |
3mb9 | ZST | Aldose reductase | 1.1.1.21 | 0.636 | |
2pdp | 393 | Aldose reductase | 1.1.1.21 | 0.635 | |
3ghu | LDT | Aldose reductase | 1.1.1.21 | 0.633 | |
2pdu | 393 | Aldose reductase | 1.1.1.21 | 0.632 | |
2i17 | LDT | Aldose reductase | 1.1.1.21 | 0.622 | |
3t42 | 3T4 | Aldose reductase | 1.1.1.21 | 0.622 | |
2pdf | ZST | Aldose reductase | 1.1.1.21 | 0.621 | |
1pwl | BFI | Aldose reductase | 1.1.1.21 | 0.618 | |
1us0 | LDT | Aldose reductase | 1.1.1.21 | 0.614 | |
2pdb | ZST | Aldose reductase | 1.1.1.21 | 0.611 | |
3ghr | LDT | Aldose reductase | 1.1.1.21 | 0.611 | |
2pzn | 393 | Aldose reductase | 1.1.1.21 | 0.610 | |
2pdh | 47D | Aldose reductase | 1.1.1.21 | 0.609 | |
3len | ZST | Aldose reductase | 1.1.1.21 | 0.609 | |
3lz5 | LDT | Aldose reductase | 1.1.1.21 | 0.605 | |
3mc5 | 393 | Aldose reductase | 1.1.1.21 | 0.602 | |
3m64 | 393 | Aldose reductase | 1.1.1.21 | 0.601 | |
3ght | LDT | Aldose reductase | 1.1.1.21 | 0.600 | |
3m0i | ZST | Aldose reductase | 1.1.1.21 | 0.595 | |
2duz | ZST | Aldose reductase | 1.1.1.21 | 0.587 | |
2pdg | 47D | Aldose reductase | 1.1.1.21 | 0.581 | |
2pd5 | ZST | Aldose reductase | 1.1.1.21 | 0.578 | |
3ghs | LDT | Aldose reductase | 1.1.1.21 | 0.578 | |
2pdn | 47D | Aldose reductase | 1.1.1.21 | 0.571 | |
2pdj | 393 | Aldose reductase | 1.1.1.21 | 0.570 | |
1iei | ZES | Aldose reductase | 1.1.1.21 | 0.567 | |
2agt | FID | Aldose reductase | 1.1.1.21 | 0.558 | |
1frb | ZST | Aldose reductase-related protein 2 | / | 0.556 | |
2pdq | 47D | Aldose reductase | 1.1.1.21 | 0.547 | |
1ah3 | TOL | Aldose reductase | 1.1.1.21 | 0.523 | |
2fzd | TOL | Aldose reductase | 1.1.1.21 | 0.523 | |
2pdl | TOL | Aldose reductase | 1.1.1.21 | 0.515 | |
3k4s | 0MO | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.512 | |
2hvo | ZST | Aldose reductase | 1.1.1.21 | 0.511 | |
2pdw | FID | Aldose reductase | 1.1.1.21 | 0.501 | |
3g4i | D71 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.499 | |
4b11 | 7I1 | Glycylpeptide N-tetradecanoyltransferase | / | 0.490 | |
4u16 | 3C0 | Muscarinic acetylcholine receptor M3 | / | 0.488 | |
4dbw | 511 | Aldo-keto reductase family 1 member C3 | / | 0.482 | |
1tbb | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.480 | |
1efy | BZC | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.479 | |
1x1a | SAM | C-20 methyltransferase | / | 0.478 | |
1xoq | ROF | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.476 | |
2cbq | TH2 | Neocarzinostatin | / | 0.476 | |
1uho | VDN | cGMP-specific 3',5'-cyclic phosphodiesterase | / | 0.475 | |
3g58 | 988 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.474 | |
3dop | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.473 | |
1y2b | DEE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.472 | |
2f2k | TGG | Aldose reductase | 1.1.1.21 | 0.472 | |
3mjr | AC2 | Deoxycytidine kinase | 2.7.1.74 | 0.472 | |
5cto | NTD | 4-hydroxyphenylpyruvate dioxygenase | 1.13.11.27 | 0.472 | |
3iak | EV1 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.471 | |
4phl | PIL | Phosphodiesterase | / | 0.471 | |
1oyn | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.470 | |
1yw7 | A41 | Methionine aminopeptidase 2 | / | 0.470 | |
1lnm | DTX | Bilin-binding protein | / | 0.468 | |
4hhz | 15S | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.467 | |
4ajf | F03 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.466 | |
2fm5 | M99 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.464 | |
2ouu | 35G | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.464 | |
4muw | 2F4 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.464 | |
5liu | 388 | Aldo-keto reductase family 1 member B10 | 1.1.1 | 0.464 | |
2e8u | IPE | Geranylgeranyl pyrophosphate synthase | / | 0.463 | |
4lm4 | JPZ | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.463 | |
1ry0 | PG2 | Aldo-keto reductase family 1 member C3 | / | 0.462 | |
3qpo | PFR | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.462 | |
1xf0 | ASD | Aldo-keto reductase family 1 member C3 | / | 0.461 | |
1zkn | IBM | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.461 | |
4ddl | 0JQ | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.461 | |
1e66 | HUX | Acetylcholinesterase | 3.1.1.7 | 0.460 | |
2wey | EV1 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.460 | |
4hmn | 16J | Aldo-keto reductase family 1 member C3 | / | 0.460 | |
3sn6 | P0G | Beta-2 adrenergic receptor | / | 0.460 | |
2ea4 | F79 | Methionine aminopeptidase 2 | / | 0.459 | |
2f38 | 15M | Aldo-keto reductase family 1 member C3 | / | 0.459 | |
2qx7 | NAP | Eugenol synthase 1 | 1.1.1.318 | 0.459 | |
3g1r | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.459 | |
3qpn | PFK | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.459 | |
2o8h | 227 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.458 | |
2our | CMP | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.458 | |
2zs9 | ADP | Pantothenate kinase | 2.7.1.33 | 0.458 | |
4ajd | F04 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.458 | |
4mvh | 2F5 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.458 | |
1eko | I84 | Aldose reductase | 1.1.1.21 | 0.457 | |
1soj | IBM | cGMP-inhibited 3',5'-cyclic phosphodiesterase B | 3.1.4.17 | 0.457 | |
1xon | PIL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.457 | |
1zkl | IBM | High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A | 3.1.4.53 | 0.457 | |
2fm0 | M98 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.457 | |
2qim | ZEA | Class 10 plant pathogenesis-related protein | / | 0.457 | |
1dx6 | GNT | Acetylcholinesterase | 3.1.1.7 | 0.456 | |
1u65 | CP0 | Acetylcholinesterase | 3.1.1.7 | 0.456 | |
2oaz | I96 | Methionine aminopeptidase 2 | / | 0.456 | |
2poq | ISD | Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase | 1.3.1.20 | 0.456 | |
1ro6 | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.454 | |
2xui | TZ5 | Acetylcholinesterase | 3.1.1.7 | 0.454 | |
3d3p | 20A | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.454 | |
4lsa | BLD | Protein BRASSINOSTEROID INSENSITIVE 1 | 2.7.10.1 | 0.454 | |
1uk1 | FRQ | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.453 | |
1vkg | CRI | Histone deacetylase 8 | 3.5.1.98 | 0.453 | |
2cmf | F11 | Acetylcholinesterase | 3.1.1.7 | 0.453 | |
3b82 | NAD | Exotoxin A | 2.4.2.36 | 0.453 | |
3g4g | D71 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.453 | |
3q9b | B3N | Acetylpolyamine amidohydrolase | / | 0.453 | |
4heu | 15J | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.453 | |
1p91 | SAM | 23S rRNA (guanine(745)-N(1))-methyltransferase | / | 0.452 | |
1x1b | SAH | C-20 methyltransferase | / | 0.452 | |
2ovy | PFJ | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.452 | |
2y0j | AXC | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.452 | |
3hl0 | NAD | Maleylacetate reductase | / | 0.452 | |
3hmv | HBT | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.452 | |
3qpp | PFW | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.452 | |
3r6i | JMS | Aldo-keto reductase family 1 member C3 | / | 0.452 | |
4c1i | EH9 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 3.1.4.17 | 0.452 | |
4kp6 | 1S1 | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.452 | |
4li6 | 1XO | Tankyrase-1 | 2.4.2.30 | 0.452 | |
3rj0 | BLD | Protein BRASSINOSTEROID INSENSITIVE 1 | 2.7.10.1 | 0.451 | |
4e0u | 0MV | Cyclic dipeptide N-prenyltransferase | / | 0.451 | |
1xom | CIO | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.450 | |
3f3y | 4OA | Bile salt sulfotransferase | 2.8.2.14 | 0.450 | |
4b12 | C23 | Glycylpeptide N-tetradecanoyltransferase | / | 0.450 | |
4bj9 | UHB | Tankyrase-2 | 2.4.2.30 | 0.450 | |
4pnm | NU1 | Tankyrase-2 | 2.4.2.30 | 0.450 | |
1zgc | A2E | Acetylcholinesterase | 3.1.1.7 | 0.449 | |
2cek | N8T | Acetylcholinesterase | 3.1.1.7 | 0.449 | |
3n3z | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.449 | |
3o57 | ZG2 | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.449 | |
3sni | 546 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.449 | |
3tfu | PL8 | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase | 2.6.1.62 | 0.449 | |
4dbs | 0HV | Aldo-keto reductase family 1 member C3 | / | 0.449 | |
4wev | SUZ | Aldo-keto reductase family 1 member B10 | 1.1.1 | 0.449 | |
1q9m | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.448 | |
1s1r | NAP | Aldo-keto reductase family 1 member C3 | / | 0.448 | |
1tfz | 869 | 4-hydroxyphenylpyruvate dioxygenase | 1.13.11.27 | 0.448 | |
1y2k | 7DE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.448 | |
2ckm | AA7 | Acetylcholinesterase | 3.1.1.7 | 0.448 | |
3g4l | ROF | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.448 | |
3o56 | ZG1 | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.448 | |
4hf4 | 15H | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.448 | |
4ia0 | 5BB | cGMP-specific 3',5'-cyclic phosphodiesterase | / | 0.448 | |
4llk | MEW | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.448 | |
1udt | VIA | cGMP-specific 3',5'-cyclic phosphodiesterase | / | 0.447 | |
1y2e | 5DE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.447 | |
3cgt | BCD | Cyclomaltodextrin glucanotransferase | 2.4.1.19 | 0.447 | |
4fcb | 0T7 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.447 | |
1pax | DHQ | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.446 | |
2xuo | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.446 | |
2zsd | COA | Pantothenate kinase | 2.7.1.33 | 0.446 | |
3nub | UD0 | UDP-2-acetamido-2-deoxy-3-oxo-D-glucuronate aminotransferase | 2.6.1.98 | 0.446 | |
3v35 | NTI | Aldose reductase | 1.1.1.21 | 0.446 | |
3wi2 | P98 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.446 | |
4kmz | FOL | Folate receptor beta | / | 0.446 | |
1vot | HUP | Acetylcholinesterase | 3.1.1.7 | 0.445 | |
2ga2 | A19 | Methionine aminopeptidase 2 | / | 0.445 | |
2uuo | LK3 | UDP-N-acetylmuramoylalanine--D-glutamate ligase | 6.3.2.9 | 0.445 | |
3sl8 | JN7 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.445 | |
4xwt | U5P | Ribonuclease J | / | 0.445 | |
1y2d | 4DE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.444 | |
1yw9 | A84 | Methionine aminopeptidase 2 | / | 0.444 | |
2c1z | KMP | Anthocyanidin 3-O-glucosyltransferase 2 | 2.4.1.115 | 0.444 | |
2fzb | TOL | Aldose reductase | 1.1.1.21 | 0.444 | |
2w6c | BM4 | Acetylcholinesterase | 3.1.1.7 | 0.444 | |
2xuf | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.444 | |
3bur | TES | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.444 | |
3w5e | NVW | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.444 | |
4dvi | 2IW | Tankyrase-1 | 2.4.2.30 | 0.444 | |
4jtr | IBP | Aldo-keto reductase family 1 member C2 | / | 0.444 | |
1m9n | AMZ | Bifunctional purine biosynthesis protein PURH | 2.1.2.3 | 0.443 | |
1uk0 | FRM | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.443 | |
1y2c | 3DE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.443 | |
3e4v | FMN | Uncharacterized protein | / | 0.443 | |
3g4k | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.443 | |
4bfv | ZVV | Pantothenate kinase | 2.7.1.33 | 0.443 | |
4dz5 | NAP | Aldo-keto reductase family 1 member C3 | / | 0.443 | |
4jq1 | NPS | Aldo-keto reductase family 1 member C2 | / | 0.443 | |
4k4e | K4E | Tankyrase-1 | 2.4.2.30 | 0.443 | |
2dw4 | FAD | Lysine-specific histone demethylase 1A | 1 | 0.442 | |
2f98 | NGV | Aklanonic acid methyl ester cyclase AcmA | 5.5.1.23 | 0.442 | |
4a95 | 9MT | Glycylpeptide N-tetradecanoyltransferase | / | 0.442 | |
4jq3 | ZOM | Aldo-keto reductase family 1 member C2 | / | 0.442 | |
4xo7 | NAP | Aldo-keto reductase family 1 member C2 | / | 0.442 | |
5dsg | 0HK | Muscarinic acetylcholine receptor M4 | / | 0.442 | |
1vp5 | NAP | Oxidoreductase, aldo/keto reductase family | / | 0.441 | |
1zgb | A1E | Acetylcholinesterase | 3.1.1.7 | 0.441 | |
2c6c | 24I | Glutamate carboxypeptidase 2 | 3.4.17.21 | 0.441 | |
2xi4 | AFT | Acetylcholinesterase | 3.1.1.7 | 0.441 | |
3dyq | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.441 | |
3pn1 | IVH | DNA ligase | / | 0.441 | |
4bfw | ZVW | Pantothenate kinase | 2.7.1.33 | 0.441 | |
4fcd | 0T6 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.441 | |
4oew | 5IO | cGMP-specific 3',5'-cyclic phosphodiesterase | / | 0.441 | |
2jf6 | S55 | Strictosidine-O-beta-D-glucosidase | 3.2.1.105 | 0.440 | |
2rd2 | QSI | Glutamine--tRNA ligase | 6.1.1.18 | 0.440 | |
2v2z | CDM | 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase | / | 0.440 | |
3af2 | ACP | Pantothenate kinase | 2.7.1.33 | 0.440 | |
3gey | P34 | Poly [ADP-ribose] polymerase 15 | 2.4.2.30 | 0.440 | |
4dbu | BT9 | Aldo-keto reductase family 1 member C3 | / | 0.440 | |
4jtr | IZP | Aldo-keto reductase family 1 member C2 | / | 0.440 | |
4jyz | ATP | Glutamine--tRNA ligase | 6.1.1.18 | 0.440 | |
4myq | 19T | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.440 | |
4pnr | G18 | Tankyrase-2 | 2.4.2.30 | 0.440 |