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| ID of heme | Axial ligands on heme | Function & structure | ||
|---|---|---|---|---|
| 3tik-A-482 |
sad. -0.02 ruf. -0.42 dom. -0.03 bre. -0.12 |
CYS | chainID: A, resSeq: 422, molecule: sterol 14-alpha demethylase (CYP51) |
oxidoreductase oligomeric count: 4 pocket vol.: 413.0 Å3 d(Fe-oop): 0.018 Å |
| JKF | chainID: A, resSeq: 490, molecule: 6-[(R)-(4-chlorophenyl)(methoxy)(1-methyl-1H-imidazol-5-yl)methyl]-4-(2,6-difluorophenyl)-1-methylquinolin-2(1H)-one |
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| 3tik-B-482 |
sad. +0.05 ruf. -0.40 dom. -0.08 bre. -0.13 |
CYS | chainID: B, resSeq: 422, molecule: sterol 14-alpha demethylase (CYP51) |
oxidoreductase oligomeric count: 4 pocket vol.: 412.0 Å3 d(Fe-oop): 0.001 Å |
| JKF | chainID: B, resSeq: 490, molecule: 6-[(R)-(4-chlorophenyl)(methoxy)(1-methyl-1H-imidazol-5-yl)methyl]-4-(2,6-difluorophenyl)-1-methylquinolin-2(1H)-one |
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| 3tik-C-482 |
sad. -0.13 ruf. -0.33 dom. -0.08 bre. -0.15 |
CYS | chainID: C, resSeq: 422, molecule: sterol 14-alpha demethylase (CYP51) |
oxidoreductase oligomeric count: 4 pocket vol.: 437.0 Å3 d(Fe-oop): 0.006 Å |
| JKF | chainID: C, resSeq: 490, molecule: 6-[(R)-(4-chlorophenyl)(methoxy)(1-methyl-1H-imidazol-5-yl)methyl]-4-(2,6-difluorophenyl)-1-methylquinolin-2(1H)-one |
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| 3tik-D-482 |
sad. -0.06 ruf. -0.38 dom. -0.13 bre. -0.12 |
CYS | chainID: D, resSeq: 422, molecule: sterol 14-alpha demethylase (CYP51) |
oxidoreductase oligomeric count: 4 pocket vol.: 439.0 Å3 d(Fe-oop): 0.009 Å |
| JKF | chainID: D, resSeq: 490, molecule: 6-[(R)-(4-chlorophenyl)(methoxy)(1-methyl-1H-imidazol-5-yl)methyl]-4-(2,6-difluorophenyl)-1-methylquinolin-2(1H)-one |
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