TABLE 1.
A partial list of concepts for which all (100% of) their usages show interactions with ligands or chemical components. This is derived by inspecting the ligand (“HETATM”) records within the source coordinate files of each concept usage. The bound ligands are shown (in the second column) using their standardized abbreviations, along with their observed frequency within the usages in parentheses. Also shown (in the third column) are the top keyword terms (from “KEYWDS” records specified by the structures’ authors) recurring within the usage coordinate files with their associated frequencies. (Note: CA = calcium ion).
| Concept ID | Ligand/chemical component (freq) | Keyword (freq) |
|---|---|---|
| c_0011 | PQQ (100%), CA (100%) | OXIDOREDUCTASE (90%), QUINOPROTEIN (27%) |
| c_0036 | ZN (100%) | HYDROLASE (85%), EXOPEPTIDASE (46%), CARBOXYPEPTIDASE B (46%) |
| c_0065 | FES (100%) | OXIDOREDUCTASE (96%), XANTHINE OXIDASE (32%), IRON SULFUR (30%) |
| c_0096 | FMN (100%) | OXIDOREDUCTASE (100%), ROSSMANN FOLD (55%) |
| c_0108 | HEM (100%), CA (100%) | OXIDOREDUCTASE (85%), PEROXIDASE (63%) |
| c_0110 | HEM (100%) | OXIDOREDUCTASE (82%), MONOOXYGENASE (43%), CYTOCHROME P450 (34%) |
| c_0124 | SF4 (100%), MG (100%) | OXIDOREDUCTASE (91%), [NIFE]HYDROGENASE (26%) |
| c_0144 | CA (100%) | TRANSFERASE (81%), CGTASE (36%), ACARBOSE (33%) |
| c_0156 | ZN (100%) | TRANSFERASE (90%), SET DOMAIN (39%), EPIGENETICS (28%) |
| c_0159 | SF4 (100%) | OXIDOREDUCTASE (96%), NIFE HYDROGENASE (17%) |
| c_0208 | CU (100%) | OXIDOREDUCTASE (97%), BETA BARREL (34%), LACCASE (32%) |
| c_0374 | HEM (100%) | OXYGEN TRANSPORT (56%), HEMOGLOBIN (26%) |
| c_0397 | ZN (100%) | OXIDOREDUCTASE (94%), SUPEROXIDE DISMUTASE (27%) |
| c_0424 | PCA (100%) | HYDROLASE (95%), GLYCOSIDASE (35%), CELLULOSE DEGRADATION (32%) |
| c_0546 | ZN (100%) | HYDROLASE (88%), PHOSPHODIESTERASE (32%), PDE (28%) |
| c_0568 | FES (100%) | ELECTRON TRANSPORT (77%), FERREDOXIN (38%) |
| c_0604 | HEM (100%) | ELECTRON TRANSPORT (100%), HEME (57%), CYTOCHROME B5 (40%) |
| c_0624 | ZN (100%) | APOPTOSIS (47%), ZINC FINGER (44%), METAL BINDING (30%) |
| c_0714 | NAG (100%) | VIRAL PROTEIN (84%), HEMAGGLUTININ (39%), GLYCOPROTEIN (22%) |