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 |
|---|---|---|---|
| 2ddo | ATP | Pyridoxine/pyridoxal/pyridoxamine kinase |
| PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
|---|---|---|---|---|---|
| 2ddo | ATP | Pyridoxine/pyridoxal/pyridoxamine kinase | / | 1.000 | |
| 3keu | ATP | Pyridoxal kinase | 2.7.1.35 | 0.492 | |
| 1rfv | ADP | Pyridoxal kinase | 2.7.1.35 | 0.478 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.476 | |
| 3ibq | ATP | Pyridoxal kinase | / | 0.473 | |
| 3drc | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.471 | |
| 2chx | 090 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.470 | |
| 2y60 | M8F | Isopenicillin N synthase | 1.21.3.1 | 0.469 | |
| 1qjf | ACS | Isopenicillin N synthase | 1.21.3.1 | 0.468 | |
| 2jb4 | A14 | Isopenicillin N synthase | 1.21.3.1 | 0.468 | |
| 2vbd | V10 | Isopenicillin N synthase | 1.21.3.1 | 0.464 | |
| 3fhy | ATP | Pyridoxal kinase | 2.7.1.35 | 0.463 | |
| 1xdd | AAY | Integrin alpha-L | / | 0.462 | |
| 2bu9 | HFV | Isopenicillin N synthase | 1.21.3.1 | 0.462 | |
| 1qiq | ACC | Isopenicillin N synthase | 1.21.3.1 | 0.461 | |
| 2zba | ZBA | Trichothecene 3-O-acetyltransferase | / | 0.461 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.461 | |
| 2y6f | M9F | Isopenicillin N synthase | 1.21.3.1 | 0.456 | |
| 3zoi | M2W | Isopenicillin N synthase | 1.21.3.1 | 0.455 | |
| 1xe5 | 5FE | Plasmepsin-2 | 3.4.23.39 | 0.454 | |
| 2vbp | VB1 | Isopenicillin N synthase | 1.21.3.1 | 0.453 | |
| 1oc1 | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.452 | |
| 3tk3 | CPZ | Cytochrome P450 2B4 | 1.14.14.1 | 0.452 | |
| 1rfu | ADP | Pyridoxal kinase | 2.7.1.35 | 0.451 | |
| 1rne | C60 | Renin | 3.4.23.15 | 0.450 | |
| 4cvm | ANP | UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase | / | 0.450 | |
| 4f4d | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.450 | |
| 2y0m | ACO | Histone acetyltransferase KAT8 | / | 0.449 | |
| 4bb3 | KKA | Isopenicillin N synthase | 1.21.3.1 | 0.449 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.449 | |
| 2fr0 | NDP | 6-deoxyerythronolide-B synthase EryA1, modules 1 and 2 | / | 0.448 | |
| 2ivi | ACW | Isopenicillin N synthase | 1.21.3.1 | 0.448 | |
| 4j0v | 1H7 | Beta-secretase 1 | 3.4.23.46 | 0.447 | |
| 2ktd | PUC | Prostaglandin-H2 D-isomerase | 5.3.99.2 | 0.446 | |
| 4bge | PYW | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.446 | |
| 1hb1 | OCV | Isopenicillin N synthase | 1.21.3.1 | 0.445 | |
| 2bxo | OPB | Serum albumin | / | 0.445 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.445 | |
| 1bk0 | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.444 | |
| 1obn | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.444 | |
| 4nbw | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.443 | |
| 1bvr | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.442 | |
| 1hb3 | SCV | Isopenicillin N synthase | 1.21.3.1 | 0.442 | |
| 3kpk | FAD | Sulfide-quinone reductase | / | 0.442 | |
| 4gj3 | 0XP | Non-receptor tyrosine-protein kinase TYK2 | 2.7.10.2 | 0.442 | |
| 1uzw | CDH | Isopenicillin N synthase | 1.21.3.1 | 0.441 | |
| 2lfo | GCH | Fatty acid-binding protein, liver | / | 0.441 | |
| 3c15 | FOK | Adenylate cyclase type 2 | / | 0.441 | |
| 3c15 | FOK | Adenylate cyclase type 5 | / | 0.441 | |
| 3c3x | NAP | Eugenol synthase 1 | 1.1.1.318 | 0.441 | |
| 4eag | ATP | 5'-AMP-activated protein kinase subunit gamma-1 | / | 0.441 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.441 | |
| 4jlm | 1NN | Deoxycytidine kinase | 2.7.1.74 | 0.441 | |
| 3bts | NAD | Galactose/lactose metabolism regulatory protein GAL80 | / | 0.440 |