Table 1 Collection of 48 complexes and their corresponding apo-forms to evaluate pocket prediction results.
From: PocketPicker: analysis of ligand binding-sites with shape descriptors
Complex | Unbound | Protein Description | Pocket Ligand1 | Other Ligands2 |
|---|---|---|---|---|
1bid | 3tms | Thymidylate synthase | UMP | CBX |
1cdo | 8adh | Alcohol dehydrogenase | NAD | zn |
1dwd | 1hxf | Alpha thrombin | MID | chains i, l |
1fbp | 2fbp | Fructose 1,6-bisphosphatase | AMP | F6P, mg |
1gca | 1gcg | Glucose/galactose-binding protein | GAL | ca |
1hew | 1hel | Hen egg white lysozyme | NAG | - |
1hyt | 1npc | Thermolysin | BZS | DMS, ca, zn |
1inc | 1esa | Elastase | ICL | ca, so4 |
1rbp | 1brq | Retinol binding protein | RTL | - |
1rob | 8rat | Ribonuclease A | C2P | - |
1stp | 1swb | Streptavidin | BTN | - |
1ulb | 1ula | Purine nucleoside phosphorylase | GUN | so4 |
2ifb | 1ifb | Fatty acid binding protein | PLM | - |
3ptb | 3ptn | Beta trypsin | BEN | ca |
2ypi | 1ypi | Triose phosphate isomerase | PGA | - |
4dfr | 5dfr | Dihydrofolate reductase | MTX | ca, cl |
4phv | 3phv | HIV 1 protease | VAC | - |
5cna | 2ctv | Concanavalin A | MMA | ca, cl, mn |
7cpa | 5cpa | Carboxypeptidase A | FVF | zn |
1a6w | 1a6u | B1-8 FV fragment | NIP | - |
1acj | 1qif | Acetylcholinesterase | THA | - |
1apu | 3app | Penicillopepsin | [IVA-VAL-VAL-STA-OET] | MAN |
1blh | 1djb | Beta-lactamase | FOS | - |
1byb | 1bya | Beta amylase | GLC | so4 |
1hfc | 1cge | Fibroblast collagenase | HAP | ca, zn |
1ida | 1hsi | HIV 2 protease | [QND-VAL-HPB-PPL-PY2] | - |
1igj | 1a4j | Immunoglobulin | DGX | chain y |
1imb | 1ime | Inositol monophosphatase | LIP | gd |
1ivd | 1nna | Hydrolase | ST1 | FUC, NAG, MAN, ca |
1mrg | 1ahc | Alpha momorcharin | ADN | - |
1mtw | 2tga | Trypsin | DX9 | ca |
1okm | 4ca2 | Carbonic anhydrase II | SAB | hg, zn |
1pdz | 1pdy | Enolase | PGA | ace, mn |
1phd | 1phc | Camphor 5-monoxygenase | PIM | HEM |
1pso | 1psn | Pepsin 3a | [IVA-VAL-VAL-STA-ALA-STA] | - |
1qpe | 3lck | Lck kinase | PP2 | PTR, so4 |
1rne | 1bbs | Renin | C60 | NAG |
1snc | 1stn | Staphylococcal nuclease | PTP | ca |
1srf | 1pts | Streptavidin | MTB | - |
2ctc | 2ctb | Carboxypeptidase A | LOF | zn |
2h4n | 2cba | Carbonic anhydrase II | AZM | zn |
2pk4 | 1krn | Plasminogen kringle | ACA | - |
2sim | 2sil | Sialidase | DAN | - |
2tmn | 1l3f | Thermolysin | [PHO-LEU-NH2] | ca, zn |
3gch | 1chg | Gamma chymotrypsin | CIN | - |
3mth | 6ins | Methylparaben insulin | MPB | cl, zn |
5p2p | 3p2p | Phosphilipase | DHG | ca |
6rsa | 7rat | Ribonuclease A | UVC | dod |