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ID of heme Axial ligands on heme Function & structure
3t3r-A-500
sad. -0.09
ruf. -0.75
dom. +0.02
bre. -0.28
CYS chainID: A,
resSeq: 439,
molecule: Cytochrome P450 2A6
oxidoreductase
oligomeric count: 1
pocket vol.: 426.0 Å3
d(Fe-oop): 0.048 Å
9PL chainID: A, resSeq: 501,

molecule: (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one

3t3r-B-500
sad. -0.21
ruf. -0.64
dom. +0.11
bre. -0.22
CYS chainID: B,
resSeq: 439,
molecule: Cytochrome P450 2A6
oxidoreductase
oligomeric count: 1
pocket vol.: 433.0 Å3
d(Fe-oop): 0.088 Å
9PL chainID: B, resSeq: 501,

molecule: (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one

3t3r-C-500
sad. -0.14
ruf. -0.72
dom. +0.10
bre. -0.33
CYS chainID: C,
resSeq: 439,
molecule: Cytochrome P450 2A6
oxidoreductase
oligomeric count: 1
pocket vol.: 412.0 Å3
d(Fe-oop): 0.077 Å
9PL chainID: C, resSeq: 501,

molecule: (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one

3t3r-D-500
sad. -0.34
ruf. -0.55
dom. +0.01
bre. -0.15
CYS chainID: D,
resSeq: 439,
molecule: Cytochrome P450 2A6
oxidoreductase
oligomeric count: 1
pocket vol.: 425.0 Å3
d(Fe-oop): 0.073 Å
9PL chainID: D, resSeq: 501,

molecule: (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one