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ID of heme Axial ligands on heme Function & structure
3szk-A-142
sad. +0.03
ruf. +0.01
dom. -0.01
bre. -0.29
HIS chainID: A,
resSeq: 87,
molecule: Hemoglobin subunit alpha
oxygen carrier
oligomeric count: 3
pocket vol.: 550.0 Å3
d(Fe-oop): 0.002 Å
Not assigned.
3t3q-A-500
sad. -0.14
ruf. -0.29
dom. +0.14
bre. -0.29
CYS chainID: A,
resSeq: 439,
molecule: Cytochrome P450 2A6
oxidoreductase
oligomeric count: 1
pocket vol.: 413.0 Å3
d(Fe-oop): 0.088 Å
9PL chainID: A, resSeq: 501,

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

3t3q-B-500
sad. -0.14
ruf. -0.10
dom. +0.07
bre. -0.32
CYS chainID: B,
resSeq: 439,
molecule: Cytochrome P450 2A6
oxidoreductase
oligomeric count: 1
pocket vol.: 415.0 Å3
d(Fe-oop): 0.091 Å
9PL chainID: B, resSeq: 501,

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

3t3q-C-500
sad. -0.05
ruf. -0.25
dom. +0.02
bre. -0.19
CYS chainID: C,
resSeq: 439,
molecule: Cytochrome P450 2A6
oxidoreductase
oligomeric count: 1
pocket vol.: 422.0 Å3
d(Fe-oop): 0.005 Å
9PL chainID: C, resSeq: 501,

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

3t3q-D-500
sad. -0.03
ruf. -0.28
dom. -0.01
bre. -0.31
CYS chainID: D,
resSeq: 439,
molecule: Cytochrome P450 2A6
oxidoreductase
oligomeric count: 1
pocket vol.: 412.0 Å3
d(Fe-oop): 0.075 Å
9PL chainID: D, resSeq: 501,

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

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

3t3s-A-500
sad. -0.28
ruf. +0.08
dom. -0.01
bre. -0.22
CYS chainID: A,
resSeq: 439,
molecule: Cytochrome P450 2A13
oxidoreductase
oligomeric count: 1
pocket vol.: 415.0 Å3
d(Fe-oop): 0.102 Å
9PL chainID: A, resSeq: 1,

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

3t3s-B-500
sad. -0.37
ruf. -0.17
dom. -0.04
bre. -0.20
CYS chainID: B,
resSeq: 439,
molecule: Cytochrome P450 2A13
oxidoreductase
oligomeric count: 1
pocket vol.: 425.0 Å3
d(Fe-oop): 0.012 Å
9PL chainID: B, resSeq: 1,

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

3t3s-C-500
sad. -0.44
ruf. -0.37
dom. -0.11
bre. -0.26
CYS chainID: C,
resSeq: 439,
molecule: Cytochrome P450 2A13
oxidoreductase
oligomeric count: 1
pocket vol.: 397.0 Å3
d(Fe-oop): 0.188 Å
9PL chainID: C, resSeq: 1,

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

3t3s-D-500
sad. -0.31
ruf. -0.30
dom. +0.02
bre. -0.17
CYS chainID: D,
resSeq: 439,
molecule: Cytochrome P450 2A13
oxidoreductase
oligomeric count: 1
pocket vol.: 406.0 Å3
d(Fe-oop): 0.067 Å
9PL chainID: D, resSeq: 1,

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

3t3s-E-500
sad. -0.15
ruf. -0.03
dom. -0.02
bre. -0.34
CYS chainID: E,
resSeq: 439,
molecule: Cytochrome P450 2A13
oxidoreductase
oligomeric count: 1
pocket vol.: 429.0 Å3
d(Fe-oop): 0.102 Å
9PL chainID: E, resSeq: 1,

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

3t3s-F-500
sad. -0.67
ruf. +0.03
dom. -0.09
bre. -0.29
CYS chainID: F,
resSeq: 439,
molecule: Cytochrome P450 2A13
oxidoreductase
oligomeric count: 1
pocket vol.: 473.0 Å3
d(Fe-oop): 0.135 Å
9PL chainID: F, resSeq: 1,

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

3t3s-G-500
sad. -0.28
ruf. -0.37
dom. +0.28
bre. -0.19
CYS chainID: G,
resSeq: 439,
molecule: Cytochrome P450 2A13
oxidoreductase
oligomeric count: 1
pocket vol.: 433.0 Å3
d(Fe-oop): 0.409 Å
Not assigned.
3t3s-H-500
sad. -0.38
ruf. -0.04
dom. -0.13
bre. -0.22
CYS chainID: H,
resSeq: 439,
molecule: Cytochrome P450 2A13
oxidoreductase
oligomeric count: 1
pocket vol.: 469.0 Å3
d(Fe-oop): 0.168 Å
Not assigned.
3t3z-A-500
sad. -0.47
ruf. -0.25
dom. +0.03
bre. -0.18
CYS chainID: A,
resSeq: 437,
molecule: Cytochrome P450 2E1
oxidoreductase
oligomeric count: 1
pocket vol.: 385.0 Å3
d(Fe-oop): 0.013 Å
9PL chainID: A, resSeq: 501,

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

3t3z-B-500
sad. -0.57
ruf. -0.11
dom. +0.09
bre. -0.13
CYS chainID: B,
resSeq: 437,
molecule: Cytochrome P450 2E1
oxidoreductase
oligomeric count: 1
pocket vol.: 385.0 Å3
d(Fe-oop): 0.011 Å
9PL chainID: B, resSeq: 501,

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

3t3z-C-500
sad. -0.56
ruf. -0.17
dom. +0.07
bre. -0.15
CYS chainID: C,
resSeq: 437,
molecule: Cytochrome P450 2E1
oxidoreductase
oligomeric count: 1
pocket vol.: 376.0 Å3
d(Fe-oop): 0.004 Å
9PL chainID: C, resSeq: 501,

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