Table 5 Overview of the data set of 48 bound/unbound structures.
From: LIGSITEcsc: predicting ligand binding sites using the Connolly surface and degree of conservation
Complex | Unbound | RMSD (Ã…)1 | Protein Description | Ligand Description2 |
|---|---|---|---|---|
1bid | 3tms | 0.24 | Thymidylate synthase | CBX, UMP |
1cdo | 8adh | 1.17 | Alcohol dehydrogenase | NAD |
1dwd | 1hxf | 0.44 | Alpha thrombin + hirudin | MID |
1fbp | 2fbp | 0.89 | Phosphohydrolase | AMP, F6P |
1gca | 1gcg | 0.32 | Galactose-binding protein | GAL |
1hew | 1hel | 0.21 | Acetylchitotriose | NAG |
1hyt | 1npc | 0.87 | Thermolysin | DMS, BZS |
1inc | 1esa | 0.21 | Elastase | ICL |
1rbp | 1brq | 0.54 | Retinol binding protein | RTL |
1rob | 8rat | 0.28 | Ribonuclease A | C2P |
1stp | 1swb | 0.33 | Streptavidin | BTN |
1ulb | 1ula | 0.61 | Purine nucleoside phosphorylase | GUN |
2ifb | 1ifb | 0.37 | Fatty acid binding protein | PLM |
3ptb | 3ptn | 0.26 | Beta trypsin | BEN |
2ypi | 1ypi | 0.57 | Triose phosphate isomerase | PGA |
4dfr | 5dfr | 0.80 | Dihydrofolate reductase | MTX |
4phv | 3phv | 1.28 | HIV 1 protease | VAC |
5cna | 2ctv | 0.44 | Concanavalin A | MMA |
7cpa | 8adh | 2.17 | Carboxypeptidase | FVF |
1a6w | 1a6u | 0.35 | B1-8 FV fragment | NIP |
1apu | 3app | 0.36 | Penicillopepsin | MAN, OET, IVA, STA |
1acj | 1qif | 0.34 | Acetylcholinesterase | THA |
1blh | 1djb | 0.23 | Methyl]phosphonate | FOS |
1byb | 1bya | 0.26 | Beta amylase | GLC |
1hfc | 1cge | 0.37 | Fibroblast collagenase | HAP |
1ida | 1hsi | 1.41 | HIV 2 protease | QND, HPB, PY2, PPL |
1ivd | 1nna | 1.00 | Sialidase | FUC, ST1, NAG, MAN |
1mrg | 1ahc | 0.30 | Alpha momorcharin | AND |
1mtw | 2tga | 0.31 | Trypsin | DX9 |
1okm | 4ca2 | 0.34 | carbonic anhydrase II | SAB |
1pdz | 1pdy | 0.54 | Enolase | PGA |
1phd | 1phc | 0.17 | Camphor 5-monoxygenase | HEM, PIM |
1pso | 1psn | 0.33 | Pepsin 3a | IVA, STA |
1qpe | 3lck | 0.25 | Lck kinase | PP2, PTR |
1rne | 1bbs | 0.60 | Renin | NAG, C60 |
1snc | 1stn | 0.52 | Staphylococcal nuclease | PTP |
1srf | 1pts | 0.45 | Streptavidin | MTB |
1stp | 2rta | 0.62 | Streptavidin | BTN |
2ctc | 2ctb | 0.15 | Carboxypeptidase | LOF |
2h4n | 2cba | 0.33 | Carbonic anhydrase II | AZM |
2pk4 | 1krn | 0.63 | Plasminogen kringle | ACA |
2sim | 2sil | 0.25 | Sialidase (neuraminidase) | DAN |
2tmn | 1l3f | 0.62 | Thermolysin | PHO, NH2 |
3gch | 1chg | 0.91 | Gamma chymotrypsin | CIN |
3mth | 6ins | 1.00 | Methylparaben insulin | MPB |
5p2p | 3p2p | 0.62 | Phosphilipase | DHG |
1imb | 1ime | 1.45 | Inositol monophosphatase | LIP |
6rsa | 7rat | 2.08 | Ribonuclease | UVC |