Table I.
Identified Amino Acid Residues of CYP1A2 that may Play a Role in CYP1A2–Ligand Interactions by Mutagenesis and/or Molecular Modeling Studies
| Residue | Possible location | Assays | References |
|---|---|---|---|
| Thr78 | – | Homology modeling | (79) |
| Thr87 | – | Homology modeling | (79) |
| Phe88 | – | Homology modeling | (79) |
| Lys94 | Helix B | SDM | (10) |
| Lys99 | Helix B | SDM | (80) |
| Lys105 | Helix B | SDM | (10) |
| Arg108 | SRS1 | Homology modeling | (81) |
| SDM | (82) | ||
| Phe114 | SRS1 | Homology modeling | (9) |
| Thr115 | SRS1 (Helix B′) | Homology modeling | (83) |
| Ile117 | SRS1 | SDM Homology modeling | (9) |
| Asp119 | SRS1 (Helix B′–C) | Homology modeling | (83) |
| Thr124 | SRS1 (Helix B′–C) | SDM | (11) |
| Homology modeling | (83) | ||
| Ser126 | SRS1 | Random mutagenesis | (84) |
| Ser129 | SRS1 | Random mutagenesis | (84) |
| Arg135 | Helix C | SDM | (10) |
| Arg136 | Helix C | SDM | (10) |
| Arg137 | Helix C | SDM | (80) |
| Gln141 | – | Homology modeling | (81) |
| His163 | – | SDM | (85) |
| Phe181 | – | Homology modeling | |
| Thr184 | – | Homology modeling | |
| Phe186 | – | Random mutagenesis | (84) |
| Phe205 | – | Homology modeling | (9) |
| Thr223 | SRS2 (Helix F) | SDM | (11) |
| Homology modeling | (83) | ||
| Glu225 | SRS2 | Random mutagenesis | (84) |
| Phe226 | SRS2 | Homology modeling | (9) |
| SDM | (84,86) | ||
| Random mutagenesis | (84) | ||
| Val227 | – | SDM | (11) |
| Lys250 | SRS3 | SDM | (87) |
| Arg251 | SRS3 | SDM | (87) |
| Lys253 | SRS3 | SDM | (87) |
| Asn259 | SRS3 | Homology modeling | (79) |
| Phe266 | – | Homology modeling | (79) |
| Asn312 | SRS4 | SDM | (11) |
| Asp313 | SRS4 (Helix I) | Homology modeling | (81,83) |
| SDM | (82) | ||
| Gly316 | SRS4 (Helix I) | Homology modeling | (83) |
| Glu318 | SRS4 (Helix I) | SDM | (10,88–92) |
| Glu319 | SRS4 (Helix I) | SDM | (10,88–91) |
| Asp320 | SRS4 (Helix I) | Random mutagenesis | (84) |
| Thr321 | SRS4 (Helix I) | Homology modeling | (81) |
| SDM | (82) | ||
| Val322 | SRS4 | Random mutagenesis | (84) |
| Phe330 | – | Homology modeling | (79) |
| Leu382 | SRS5 | SDM | (11) |
| Homology modeling | (83) | ||
| Pro383 | SRS5 | Homology modeling | (83) |
| Thr385 | SRS5 | Homology modeling | (81) |
| SDM | (82) | ||
| Random mutagenesis | (84) | ||
| Ile386 | SRS5 | Random mutagenesis | (84) |
| Lys401 | – | SDM | (10) |
| Tyr437 | – | Homology modeling | (79) |
| Lys440 | – | SDM | (10) |
| Lys453 | – | SDM | (10,80) |
| Arg455 | – | SDM | (10,80) |
| Arg456 | Near heme | Homology modeling | (83) |
| Ile462 | Helix L | SDM and homology modeling | (9) |
| Lys463 | Helix L | SDM | (10) |
| Tyr495 | Near strand β4-1 | Homology modeling | (83) |
| Thr501 | – | Homology modeling | (9) |
| SDM | (84,86) |
SDM site-directed mutagenesis, SRS substrate recognition sequence