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HET residue classes in IChem, exemplified by one residue.
| HET[a] | Template[b] | Updated[c] | Class[d] |
|---|---|---|---|
| ACO | 1 | / | COFACTOR |
| 3NI | 1 | / | ION |
| 001 | 1 | / | LIGAND |
| 3CO | 1 | / | METAL |
| 004 | 1 | / | MOD_AA |
| 02I | 1 | / | NUCLEIC |
| 01L | 1 | / | ORGANOMET |
| BH1 | 0 | BPH | PROSTHETIC |
| ALA | 1 | / | STD_AA |
| 045 | 1 | / | SUGAR |
| 000 | 1 | / | UNWANTED |
| HOH | 1 | / | WATER |
[a] Three‐character alphanumeric code of each chemical component. [b] Template present (1) or absent (0). [c] Updated (/) or deprecated and replaced (e.g., BH1 updated into BPH). [d] Residue class.
