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ID of heme Axial ligands on heme Function & structure
3tgu-C-501
sad. +0.21
ruf. -0.21
dom. -0.19
bre. +0.16
HIS chainID: C,
resSeq: 84,
molecule: Cytochrome b
oxidoreductase
oligomeric count: 20
pocket vol.: 419.0 Å3
d(Fe-oop): 0.036 Å
HIS chainID: C, resSeq: 183,

molecule: Cytochrome b

3tgu-C-502
sad. -0.65
ruf. -0.41
dom. +0.24
bre. +0.19
HIS chainID: C,
resSeq: 98,
molecule: Cytochrome b
oxidoreductase
oligomeric count: 20
pocket vol.: 382.0 Å3
d(Fe-oop): 0.027 Å
HIS chainID: C, resSeq: 197,

molecule: Cytochrome b

3tgu-D-501
sad. +0.10
ruf. -0.19
dom. -0.04
bre. +0.15
HIS chainID: D,
resSeq: 41,
molecule: Mitochondrial cytochrome c1, heme protein
oxidoreductase
oligomeric count: 20
pocket vol.: 429.0 Å3
d(Fe-oop): 0.004 Å
MET chainID: D, resSeq: 160,

molecule: Mitochondrial cytochrome c1, heme protein

3tgu-P-501
sad. +0.25
ruf. -0.18
dom. -0.21
bre. +0.13
HIS chainID: P,
resSeq: 84,
molecule: Cytochrome b
oxidoreductase
oligomeric count: 20
pocket vol.: 429.0 Å3
d(Fe-oop): 0.017 Å
HIS chainID: P, resSeq: 183,

molecule: Cytochrome b

3tgu-P-502
sad. -0.71
ruf. -0.41
dom. +0.22
bre. +0.13
HIS chainID: P,
resSeq: 98,
molecule: Cytochrome b
oxidoreductase
oligomeric count: 20
pocket vol.: 405.0 Å3
d(Fe-oop): 0.025 Å
HIS chainID: P, resSeq: 197,

molecule: Cytochrome b

3tgu-Q-501
sad. +0.07
ruf. -0.16
dom. -0.08
bre. +0.16
HIS chainID: Q,
resSeq: 41,
molecule: Mitochondrial cytochrome c1, heme protein
oxidoreductase
oligomeric count: 20
pocket vol.: 442.0 Å3
d(Fe-oop): 0.001 Å
MET chainID: Q, resSeq: 160,

molecule: Mitochondrial cytochrome c1, heme protein

3tgy-A-605
sad. -0.33
ruf. +0.12
dom. -0.03
bre. -0.14
HIS chainID: A,
resSeq: 351,
molecule: Lactoperoxidase
oxidoreductase
oligomeric count: 1
pocket vol.: 436.0 Å3
d(Fe-oop): 0.046 Å
HOH chainID: A, resSeq: 754,

molecule: water

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

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

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

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

3tjs-A-508
sad. -0.11
ruf. -0.06
dom. -0.07
bre. -0.16
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 1
pocket vol.: 416.0 Å3
d(Fe-oop): 0.045 Å
D0R chainID: A, resSeq: 600,

molecule: N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide

3tk3-A-500
sad. +0.13
ruf. +0.24
dom. +0.03
bre. -0.26
CYS chainID: A,
resSeq: 436,
molecule: Cytochrome P450 2B4
oxidoreductase
oligomeric count: 1
pocket vol.: 397.0 Å3
d(Fe-oop): 0.061 Å
CPZ chainID: A, resSeq: 501,

molecule: 4-(4-CHLOROPHENYL)IMIDAZOLE

3tk3-B-500
sad. +0.12
ruf. +0.52
dom. +0.04
bre. -0.18
CYS chainID: B,
resSeq: 436,
molecule: Cytochrome P450 2B4
oxidoreductase
oligomeric count: 1
pocket vol.: 390.0 Å3
d(Fe-oop): 0.029 Å
CPZ chainID: B, resSeq: 501,

molecule: 4-(4-CHLOROPHENYL)IMIDAZOLE

3tk3-C-500
sad. -0.02
ruf. +0.52
dom. +0.06
bre. -0.18
CYS chainID: C,
resSeq: 436,
molecule: Cytochrome P450 2B4
oxidoreductase
oligomeric count: 1
pocket vol.: 397.0 Å3
d(Fe-oop): 0.018 Å
CPZ chainID: C, resSeq: 501,

molecule: 4-(4-CHLOROPHENYL)IMIDAZOLE

3tk3-D-500
sad. +0.05
ruf. +0.47
dom. +0.15
bre. -0.22
CYS chainID: D,
resSeq: 436,
molecule: Cytochrome P450 2B4
oxidoreductase
oligomeric count: 1
pocket vol.: 388.0 Å3
d(Fe-oop): 0.114 Å
CPZ chainID: D, resSeq: 501,

molecule: 4-(4-CHLOROPHENYL)IMIDAZOLE

3tkt-A-431
sad. -0.24
ruf. -0.15
dom. -0.10
bre. -0.23
CYS chainID: A,
resSeq: 379,
molecule: Cytochrome P450
oxidoreductase
oligomeric count: 1
pocket vol.: 367.0 Å3
d(Fe-oop): 0.302 Å
Not assigned.
3tld-A-201
sad. +0.18
ruf. -0.48
dom. -0.09
bre. -0.25
HIS chainID: A,
resSeq: 85,
molecule: Bacterial hemoglobin
oxygen carrier
oligomeric count: 2
pocket vol.: 574.0 Å3
d(Fe-oop): 0.204 Å
Not assigned.
3tld-B-201
sad. +0.19
ruf. -0.42
dom. -0.09
bre. -0.25
HIS chainID: B,
resSeq: 85,
molecule: Bacterial hemoglobin
oxygen carrier
oligomeric count: 2
pocket vol.: 553.0 Å3
d(Fe-oop): 0.218 Å
Not assigned.
3tm3-A-201
sad. +0.17
ruf. -0.40
dom. -0.11
bre. -0.26
HIS chainID: A,
resSeq: 85,
molecule: Hemoglobin
oxygen carrier
oligomeric count: 2
pocket vol.: 533.0 Å3
d(Fe-oop): 0.220 Å
Not assigned.