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ID of heme Axial ligands on heme Function & structure
8eum-B-201
sad. +0.51
ruf. +1.48
dom. -0.08
bre. +0.35
HIS chainID: B,
resSeq: 120,
molecule: Protogloblin ApPgb
unclassified
oligomeric count: 4
pocket vol.: 366.0 Å3
d(Fe-oop): 0.007 Å
IMD chainID: B, resSeq: 202,

molecule: IMIDAZOLE

8eum-C-203
sad. +0.40
ruf. +1.39
dom. -0.12
bre. -0.03
HIS chainID: C,
resSeq: 120,
molecule: Protogloblin ApPgb
unclassified
oligomeric count: 4
pocket vol.: 384.0 Å3
d(Fe-oop): 0.039 Å
IMD chainID: C, resSeq: 204,

molecule: IMIDAZOLE

8eum-D-201
sad. +0.43
ruf. +1.01
dom. -0.10
bre. +0.07
HIS chainID: D,
resSeq: 120,
molecule: Protogloblin ApPgb
unclassified
oligomeric count: 4
pocket vol.: 387.0 Å3
d(Fe-oop): 0.013 Å
IMD chainID: D, resSeq: 202,

molecule: IMIDAZOLE

8ewd-A-601
sad. -0.15
ruf. +0.46
dom. +0.05
bre. -0.17
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 2
pocket vol.: 393.0 Å3
d(Fe-oop): 0.045 Å
WZN chainID: A, resSeq: 602,

molecule: {tert-butyl [1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]carbamate}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)

8ewe-A-601
sad. -0.09
ruf. +0.34
dom. -0.00
bre. -0.23
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 2
pocket vol.: 423.0 Å3
d(Fe-oop): 0.034 Å
X0E chainID: A, resSeq: 602,

molecule: {tert-butyl [1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]carbamate}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium

8ewl-A-601
sad. -0.12
ruf. +0.39
dom. +0.07
bre. -0.14
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 2
pocket vol.: 417.0 Å3
d(Fe-oop): 0.170 Å
X1C chainID: A, resSeq: 602,

molecule: {N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-4-yl)propanamide}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)

8ewm-A-601
sad. -0.31
ruf. +0.36
dom. +0.15
bre. -0.12
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 2
pocket vol.: 423.0 Å3
d(Fe-oop): 0.075 Å
X1I chainID: A, resSeq: 602,

molecule: {tert-butyl [1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methylidene]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]carbamate}bis[3,5-difluoro-2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)

8ewn-A-601
sad. -0.11
ruf. +0.46
dom. -0.08
bre. -0.15
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 2
pocket vol.: 406.0 Å3
d(Fe-oop): 0.065 Å
X1O chainID: A, resSeq: 602,

molecule: {N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-4-yl)propanamide}bis[3,5-difluoro-2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)

8ewp-A-601
sad. -0.23
ruf. +0.36
dom. +0.09
bre. -0.22
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 2
pocket vol.: 424.0 Å3
d(Fe-oop): 0.037 Å
X2Q chainID: A, resSeq: 602,

molecule: {N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-4-yl)propanamide}bis[2-(quinolin-2-yl-kappaN)-1-benzothiophen-3-yl-kappaC~3~]iridium(1+)

8ewq-A-601
sad. -0.08
ruf. +0.49
dom. +0.01
bre. -0.20
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 2
pocket vol.: 422.0 Å3
d(Fe-oop): 0.120 Å
X2B chainID: A, resSeq: 602,

molecule: {N-[1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]benzamide}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)

8ewr-A-601
sad. -0.04
ruf. +0.28
dom. +0.10
bre. -0.19
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 2
pocket vol.: 436.0 Å3
d(Fe-oop): 0.047 Å
WZN chainID: A, resSeq: 602,

molecule: {tert-butyl [1-{[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]amino}-1-oxo-3-(pyridin-4-yl)propan-2-yl]carbamate}bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium(1+)

8ews-A-601
sad. -0.07
ruf. +0.22
dom. -0.01
bre. -0.22
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 2
pocket vol.: 420.0 Å3
d(Fe-oop): 0.064 Å
X2Q chainID: A, resSeq: 602,

molecule: {N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-4-yl)propanamide}bis[2-(quinolin-2-yl-kappaN)-1-benzothiophen-3-yl-kappaC~3~]iridium(1+)

8exb-A-601
sad. -0.17
ruf. +0.21
dom. +0.09
bre. -0.24
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 2
pocket vol.: 419.0 Å3
d(Fe-oop): 0.016 Å
X4E chainID: A, resSeq: 602,

molecule: {N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-3-yl)propanamide}bis[2-(quinolin-2-yl-kappaN)-1-benzothiophen-3-yl-kappaC~3~]iridium(1+)

8ez5-E-101
sad. +0.96
ruf. -0.10
dom. -0.03
bre. -0.03
HIS chainID: E,
resSeq: 23,
molecule: Cytochrome b559 subunit alpha
electron transporter
oligomeric count: 40
pocket vol.: 432.0 Å3
d(Fe-oop): 0.066 Å
HIS chainID: F, resSeq: 24,

molecule: Cytochrome b559 subunit beta

8ez5-V-201
sad. +0.35
ruf. -0.29
dom. +0.08
bre. -0.21
HIS chainID: V,
resSeq: 41,
molecule: Cytochrome c-550
electron transporter
oligomeric count: 40
pocket vol.: 458.0 Å3
d(Fe-oop): 0.028 Å
HIS chainID: V, resSeq: 92,

molecule: Cytochrome c-550

8ez5-f-101
sad. +1.06
ruf. -0.33
dom. +0.09
bre. -0.02
HIS chainID: e,
resSeq: 23,
molecule: Cytochrome b559 subunit alpha
electron transporter
oligomeric count: 40
pocket vol.: 427.0 Å3
d(Fe-oop): 0.067 Å
HIS chainID: f, resSeq: 24,

molecule: Cytochrome b559 subunit beta

8ez5-v-201
sad. +0.34
ruf. -0.41
dom. +0.14
bre. -0.19
HIS chainID: v,
resSeq: 41,
molecule: Cytochrome c-550
electron transporter
oligomeric count: 40
pocket vol.: 446.0 Å3
d(Fe-oop): 0.121 Å
HIS chainID: v, resSeq: 92,

molecule: Cytochrome c-550

8f4c-F-101
sad. +1.11
ruf. -0.09
dom. -0.04
bre. -0.02
HIS chainID: E,
resSeq: 23,
molecule: Cytochrome b559 subunit alpha
electron transporter
oligomeric count: 40
pocket vol.: 457.0 Å3
d(Fe-oop): 0.019 Å
HIS chainID: F, resSeq: 24,

molecule: Cytochrome b559 subunit beta

8f4c-V-201
sad. +0.31
ruf. -0.32
dom. +0.11
bre. -0.16
HIS chainID: V,
resSeq: 41,
molecule: Cytochrome c-550
electron transporter
oligomeric count: 40
pocket vol.: 450.0 Å3
d(Fe-oop): 0.052 Å
HIS chainID: V, resSeq: 92,

molecule: Cytochrome c-550

8f4c-f-101
sad. +1.08
ruf. -0.13
dom. +0.10
bre. -0.07
HIS chainID: e,
resSeq: 23,
molecule: Cytochrome b559 subunit alpha
electron transporter
oligomeric count: 40
pocket vol.: 444.0 Å3
d(Fe-oop): 0.020 Å
HIS chainID: f, resSeq: 24,

molecule: Cytochrome b559 subunit beta