Binding Sites 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
Binding Sites are considered as similar when the similarity value is greater than 0.44
PDB ID | HET | Uniprot Name | EC Number |
---|---|---|---|
3dau | MTX | Dihydrofolate reductase | 1.5.1.3 |
PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
---|---|---|---|---|---|
3dau | MTX | Dihydrofolate reductase | 1.5.1.3 | 1.000 | |
3ia4 | MTX | Dihydrofolate reductase | / | 0.598 | |
4nx6 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.594 | |
2zza | FOL | Dihydrofolate reductase | / | 0.593 | |
1rx3 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.591 | |
3ix9 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.582 | |
3cd2 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.579 | |
2drc | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.577 | |
1jol | FFO | Dihydrofolate reductase | 1.5.1.3 | 0.576 | |
3och | 2MX | Dihydrofolate reductase | 1.5.1.3 | 0.574 | |
4nx7 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.573 | |
1rf7 | DHF | Dihydrofolate reductase | 1.5.1.3 | 0.566 | |
3drc | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.566 | |
1dra | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.560 | |
3dfr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.558 | |
2fzi | DH3 | Dihydrofolate reductase | 1.5.1.3 | 0.557 | |
4dfr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.557 | |
1vj3 | TAB | Dihydrofolate reductase | 1.5.1.3 | 0.554 | |
3iro | 2CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.554 | |
2fzh | DH1 | Dihydrofolate reductase | 1.5.1.3 | 0.553 | |
1dyj | DDF | Dihydrofolate reductase | 1.5.1.3 | 0.547 | |
1m7a | MQU | Dihydrofolate reductase | 1.5.1.3 | 0.547 | |
3kjs | DQ1 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.547 | |
1dg7 | WRB | Dihydrofolate reductase | 1.5.1.3 | 0.545 | |
3fy9 | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.543 | |
4ixe | IXE | Dihydrofolate reductase | 1.5.1.3 | 0.543 | |
4h96 | 14Q | Dihydrofolate reductase | 1.5.1.3 | 0.542 | |
3qly | 55V | Uncharacterized protein | / | 0.541 | |
4ele | 31I | Dihydrofolate reductase | / | 0.541 | |
1dhj | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.540 | |
4cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.540 | |
3sa2 | 7DR | Dihydrofolate reductase | / | 0.538 | |
1dds | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.536 | |
1rb3 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.536 | |
1daj | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.535 | |
1tdr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.534 | |
3tq9 | MTX | Dihydrofolate reductase | / | 0.534 | |
1df7 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.533 | |
4x5g | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.533 | |
1aoe | GW3 | Dihydrofolate reductase | 1.5.1.3 | 0.532 | |
1qzf | FOL | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.531 | |
4ixg | IXG | Dihydrofolate reductase | 1.5.1.3 | 0.531 | |
1rg7 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.529 | |
1ly3 | COG | Dihydrofolate reductase | 1.5.1.3 | 0.525 | |
1cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.524 | |
4dp3 | MMV | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.524 | |
4elf | 35I | Dihydrofolate reductase | / | 0.523 | |
4h97 | 53S | Dihydrofolate reductase | 1.5.1.3 | 0.522 | |
1drb | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.521 | |
2qk8 | MTX | Dihydrofolate reductase | / | 0.521 | |
2w3v | TOP | Dihydrofolate reductase | / | 0.521 | |
3eel | 53T | Uncharacterized protein | / | 0.521 | |
3fl8 | RAR | Dihydrofolate reductase | / | 0.519 | |
3dat | MTX | Dihydrofolate reductase | / | 0.516 | |
3qlr | QLR | Dihydrofolate reductase | 1.5.1.3 | 0.515 | |
3sa1 | 6DR | Dihydrofolate reductase | / | 0.515 | |
4kjj | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.514 | |
1j3k | WRA | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.513 | |
1klk | PMD | Dihydrofolate reductase | 1.5.1.3 | 0.513 | |
4elb | 34S | Dihydrofolate reductase | / | 0.513 | |
4ixf | IXF | Dihydrofolate reductase | 1.5.1.3 | 0.512 | |
4h95 | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.511 | |
1dg5 | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.510 | |
1rx2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.510 | |
3fy8 | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.510 | |
3jwc | EKB | Dihydrofolate reductase | / | 0.507 | |
3qlw | N22 | Dihydrofolate reductase | 1.5.1.3 | 0.507 | |
3jsu | KA5 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.506 | |
4dpd | DHF | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.505 | |
4x5f | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.504 | |
3eem | 53V | Uncharacterized protein | / | 0.503 | |
3srq | Q19 | Dihydrofolate reductase | 1.5.1.3 | 0.503 | |
1ddr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.502 | |
2cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.502 | |
3dga | RJ1 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.502 | |
3fyw | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.502 | |
3qlz | QLZ | Uncharacterized protein | / | 0.502 | |
4elg | 52J | Dihydrofolate reductase | / | 0.502 | |
4h98 | 14Q | Uncharacterized protein | / | 0.502 | |
3tqb | FOL | Dihydrofolate reductase | / | 0.501 | |
1j3i | WRA | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.500 | |
4xe6 | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.500 | |
3qlx | QLR | Uncharacterized protein | / | 0.499 | |
3td8 | D2R | Dihydrofolate reductase | 1.5.1.3 | 0.498 | |
4m2x | TMQ | Dihydrofolate reductase | 1.5.1.3 | 0.498 | |
3frf | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.497 | |
3frd | DHF | Dihydrofolate reductase | 1.5.1.3 | 0.496 | |
3irm | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.496 | |
3ql3 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.496 | |
3sru | Q26 | Dihydrofolate reductase | 1.5.1.3 | 0.496 | |
2w9s | TOP | Dihydrofolate reductase type 1 from Tn4003 | 1.5.1.3 | 0.495 | |
3inv | C50 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.494 | |
4p66 | MTX | Dihydrofolate reductase | / | 0.494 | |
3qls | 55V | Dihydrofolate reductase | 1.5.1.3 | 0.493 | |
5hi6 | MTX | Dihydrofolate reductase | / | 0.493 | |
3jwm | 5WB | Dihydrofolate reductase | / | 0.492 | |
3um6 | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.492 | |
3srw | Q27 | Dihydrofolate reductase | 1.5.1.3 | 0.491 | |
3sai | 9DR | Dihydrofolate reductase | / | 0.490 | |
1rc4 | DDF | Dihydrofolate reductase | 1.5.1.3 | 0.489 | |
4eil | FOL | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.489 | |
1diu | BDM | Dihydrofolate reductase | 1.5.1.3 | 0.488 | |
3fyv | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.488 | |
3jw5 | TOP | Dihydrofolate reductase | / | 0.488 | |
3eek | 53S | Uncharacterized protein | / | 0.487 | |
1e26 | GPB | Dihydrofolate reductase | 1.5.1.3 | 0.485 | |
1kms | LIH | Dihydrofolate reductase | 1.5.1.3 | 0.485 | |
4fgg | 0U5 | Dihydrofolate reductase | 1.5.1.3 | 0.485 | |
1rd7 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.484 | |
1s3y | TQT | Dihydrofolate reductase | 1.5.1.3 | 0.484 | |
3eej | 53R | Uncharacterized protein | / | 0.484 | |
1re7 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.481 | |
3um5 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.481 | |
3cse | N22 | Uncharacterized protein | / | 0.479 | |
4m6l | 21V | Dihydrofolate reductase | 1.5.1.3 | 0.479 | |
4x5j | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.479 | |
3r33 | 6ME | Dihydrofolate reductase | 1.5.1.3 | 0.478 | |
4x5i | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.478 | |
3fre | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.476 | |
1rb2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.475 | |
1dis | BDM | Dihydrofolate reductase | 1.5.1.3 | 0.474 | |
2fzj | DH3 | Dihydrofolate reductase | 1.5.1.3 | 0.474 | |
3srs | M23 | Dihydrofolate reductase | 1.5.1.3 | 0.474 | |
3tda | PN0 | Cytochrome P450 2D6 | / | 0.474 | |
1dyr | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.473 | |
1ohk | COP | Dihydrofolate reductase | 1.5.1.3 | 0.473 | |
3clb | TMQ | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.470 | |
3m08 | RAR | Dihydrofolate reductase | 1.5.1.3 | 0.470 | |
4fgh | 0U6 | Dihydrofolate reductase | 1.5.1.3 | 0.470 | |
5ccc | DDF | Dihydrofolate reductase | 1.5.1.3 | 0.469 | |
3a0i | AJI | Glucokinase | 2.7.1.2 | 0.466 | |
3qyo | Q24 | Dihydrofolate reductase | 1.5.1.3 | 0.466 | |
4elb | 34R | Dihydrofolate reductase | / | 0.466 | |
1hfq | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.465 | |
1ly4 | COQ | Dihydrofolate reductase | 1.5.1.3 | 0.464 | |
4gb9 | 0WR | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.464 | |
1jom | FFO | Dihydrofolate reductase | 1.5.1.3 | 0.463 | |
3qg2 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.463 | |
3sgy | 06W | Dihydrofolate reductase | 1.5.1.3 | 0.463 | |
2qo4 | CHD | Fatty acid-binding protein 10-A, liver basic | / | 0.462 | |
3c0g | 3AM | Peripheral plasma membrane protein CASK | 2.7.11.1 | 0.462 | |
3d80 | Q22 | Dihydrofolate reductase | 1.5.1.3 | 0.462 | |
3oaf | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.462 | |
4ky4 | 04J | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.462 | |
1m78 | CLZ | Dihydrofolate reductase | 1.5.1.3 | 0.461 | |
3eig | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.461 | |
3srr | Q20 | Dihydrofolate reductase | 1.5.1.3 | 0.461 | |
4g95 | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.461 | |
4ia7 | BIV | Vitamin D3 receptor A | / | 0.461 | |
1ia4 | TQ6 | Dihydrofolate reductase | 1.5.1.3 | 0.460 | |
3fl9 | TOP | Dihydrofolate reductase | / | 0.460 | |
1hfp | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.459 | |
1rx8 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.459 | |
3sh2 | 5DR | Dihydrofolate reductase | 1.5.1.3 | 0.459 | |
2g2h | P16 | Tyrosine-protein kinase ABL1 | 2.7.10.2 | 0.458 | |
1j3j | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.457 | |
4cuk | NAI | D-lactate dehydrogenase | / | 0.457 | |
4fny | I3K | ALK tyrosine kinase receptor | 2.7.10.1 | 0.457 | |
3l3r | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.456 | |
1sm2 | STU | Tyrosine-protein kinase ITK/TSK | 2.7.10.2 | 0.455 | |
2w0b | CMW | Lanosterol 14-alpha demethylase | 1.14.13.70 | 0.455 | |
4hni | 16W | Casein kinase I isoform epsilon | 2.7.11.1 | 0.455 | |
1blz | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.454 | |
1ia3 | TQ5 | Dihydrofolate reductase | 1.5.1.3 | 0.454 | |
1z1f | STL | Resveratrol synthase | / | 0.454 | |
2bla | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.454 | |
2blc | CP7 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.454 | |
3ua5 | 06X | Cytochrome P450 2B6 | 1.14.13 | 0.454 | |
4elh | 53I | Dihydrofolate reductase | / | 0.454 | |
4g8z | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.454 | |
2blb | CP7 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.453 | |
3s7a | 684 | Dihydrofolate reductase | 1.5.1.3 | 0.453 | |
4dqu | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.453 | |
4ia2 | BIV | Vitamin D3 receptor A | / | 0.453 | |
4jlj | 1NM | Deoxycytidine kinase | 2.7.1.74 | 0.453 | |
3fco | IIG | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.452 | |
3p99 | LNP | Lanosterol 14-alpha-demethylase | / | 0.452 | |
2hm9 | TRR | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
3new | 3NE | Mitogen-activated protein kinase 14 | / | 0.451 | |
2ham | C33 | Vitamin D3 receptor | / | 0.450 | |
2hcd | BIV | Vitamin D3 receptor A | / | 0.450 | |
3qgt | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.450 | |
4fm5 | DF0 | Prostaglandin G/H synthase 2 | 1.14.99.1 | 0.450 | |
1ove | 358 | Mitogen-activated protein kinase 14 | / | 0.449 | |
3u8h | BHP | Phospholipase A2, membrane associated | / | 0.449 | |
4bb3 | KKA | Isopenicillin N synthase | 1.21.3.1 | 0.449 | |
4i1n | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
1e90 | MYC | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.448 | |
2j2i | LY4 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.448 | |
4bb6 | HD1 | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.448 | |
4ezk | 0SD | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.448 | |
4iv2 | 1GR | Estrogen receptor | / | 0.448 | |
2hw2 | RFP | Rifampin ADP-ribosyl transferase | / | 0.447 | |
2qa2 | FAD | Polyketide oxygenase CabE | / | 0.447 | |
3gc9 | B45 | Mitogen-activated protein kinase 11 | 2.7.11.24 | 0.447 | |
3thr | C2F | Glycine N-methyltransferase | 2.1.1.20 | 0.447 | |
4rup | H97 | Vitamin D3 receptor A | / | 0.447 | |
1db4 | 8IN | Phospholipase A2, membrane associated | / | 0.446 | |
1qiq | ACC | Isopenicillin N synthase | 1.21.3.1 | 0.446 | |
2vn0 | TDZ | Cytochrome P450 2C8 | / | 0.446 | |
3jw3 | TOP | Dihydrofolate reductase | / | 0.446 | |
3ue4 | DB8 | Tyrosine-protein kinase ABL1 | 2.7.10.2 | 0.446 | |
4o70 | 1QK | Bromodomain-containing protein 4 | / | 0.446 | |
1y4l | SVR | Basic phospholipase A2 homolog 2 | / | 0.445 | |
3lu8 | IQX | Serum albumin | / | 0.445 | |
3nrr | D16 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.445 | |
3qaq | QAQ | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.445 | |
4jlk | 1NO | Deoxycytidine kinase | 2.7.1.74 | 0.445 | |
4wa9 | AXI | Tyrosine-protein kinase ABL1 | 2.7.10.2 | 0.445 | |
1fmj | RTL | Retinol dehydratase | / | 0.444 | |
1yi4 | ADN | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.444 | |
3ddw | 055 | Glycogen phosphorylase, liver form | 2.4.1.1 | 0.444 | |
1z6t | ADP | Apoptotic protease-activating factor 1 | / | 0.443 | |
2bx8 | AZQ | Serum albumin | / | 0.443 | |
2y1o | T26 | UDP-N-acetylmuramoylalanine--D-glutamate ligase | 6.3.2.9 | 0.443 | |
3s2a | 2NQ | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.443 | |
1dhf | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
1n71 | COA | Aac(6')-Ii protein | / | 0.442 | |
1wpg | ADP | Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 | 3.6.3.8 | 0.442 | |
2qe4 | JJ3 | Estrogen receptor | / | 0.442 | |
2tsc | CB3 | Thymidylate synthase | / | 0.442 | |
3kpz | ZNE | Vitamin D3 receptor | / | 0.442 | |
3l08 | ZIG | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.442 | |
4j6c | STR | Cytochrome P450 monooxygenase | / | 0.442 | |
1e1n | FAD | NADPH:adrenodoxin oxidoreductase, mitochondrial | 1.18.1.6 | 0.441 | |
1fml | RTL | Retinol dehydratase | / | 0.441 | |
1pd9 | CO4 | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
2bu9 | HFV | Isopenicillin N synthase | 1.21.3.1 | 0.441 | |
2w9g | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
3cyl | VIT | Basic phospholipase A2 homolog piratoxin-2 | / | 0.441 | |
3dho | B2M | Streptogramin A acetyltransferase | 2.3.1 | 0.441 | |
3dmj | GWE | Pol protein | / | 0.441 | |
3gyf | 51P | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
3p3z | P3Z | Putative cytochrome P450 | / | 0.441 | |
3tmz | 06X | Cytochrome P450 2B4 | 1.14.14.1 | 0.441 | |
4b7x | NAP | Probable oxidoreductase | / | 0.441 | |
4fhb | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
4iw8 | KN3 | Estrogen receptor | / | 0.441 | |
4keb | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
1ie9 | VDX | Vitamin D3 receptor | / | 0.440 | |
2aq8 | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.440 | |
2iog | IOG | Estrogen receptor | / | 0.440 | |
2wpx | ACO | Orf14 | / | 0.440 | |
3fra | I2H | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
3is9 | AC7 | Gag-Pol polyprotein | 2.7.7.49 | 0.440 | |
3s79 | ASD | Aromatase | 1.14.14.14 | 0.440 | |
4ej1 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
4u9y | COA | Alpha-tubulin N-acetyltransferase 1 | / | 0.440 | |
4ucn | MYA | Glycylpeptide N-tetradecanoyltransferase | / | 0.440 |