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ID of heme Axial ligands on heme Function & structure
9cot-A-601
sad. -0.22
ruf. +0.11
dom. +0.05
bre. -0.23
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 2
pocket vol.: 422.0 Å3
d(Fe-oop): 0.032 Å
A1A08 chainID: A, resSeq: 602,

molecule: (2R)-3-phenyl-2-{[(2S)-3-phenyl-2-(2,2,2-trifluoroacetamido)propyl]sulfanyl}-N-[3-(pyridin-3-yl)propyl]propanamide

9cou-A-601
sad. -0.23
ruf. +0.05
dom. +0.05
bre. -0.22
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 2
pocket vol.: 424.0 Å3
d(Fe-oop): 0.018 Å
A1A4U chainID: A, resSeq: 602,

molecule: (2R)-2-{[(2S)-2-(benzenesulfonamido)-3-phenylpropyl]sulfanyl}-3-phenyl-N-[3-(pyridin-3-yl)propyl]propanamide

9cov-A-601
sad. -0.32
ruf. +0.16
dom. +0.01
bre. -0.24
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 2
pocket vol.: 409.0 Å3
d(Fe-oop): 0.091 Å
A1A4S chainID: A, resSeq: 602,

molecule: N-[(2S)-1-(1H-indol-3-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]pyridine-3-carboxamide

9cow-A-601
sad. -0.16
ruf. -0.14
dom. +0.05
bre. -0.22
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 2
pocket vol.: 415.0 Å3
d(Fe-oop): 0.053 Å
A1A4V chainID: A, resSeq: 603,

molecule: N-[(2S)-1-(naphthalen-1-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]pyridine-3-carboxamide

9cox-A-601
sad. -0.18
ruf. +0.09
dom. +0.10
bre. -0.23
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 2
pocket vol.: 418.0 Å3
d(Fe-oop): 0.040 Å
A1A4K chainID: A, resSeq: 602,

molecule: N-[(2S)-1-(naphthalen-1-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]pyridine-3-carboxamide

9coy-A-601
sad. -0.30
ruf. +0.20
dom. +0.07
bre. -0.18
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 2
pocket vol.: 417.0 Å3
d(Fe-oop): 0.070 Å
A1A4T chainID: A, resSeq: 602,

molecule: N-[(2S)-1-([1,1'-biphenyl]-4-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]-2,2-dimethylpropanamide

9cuf-A-501
sad. +0.96
ruf. -1.64
dom. +0.11
bre. +0.08
LYS chainID: A,
resSeq: 123,
molecule: Cytochrome c-552
oxidoreductase
oligomeric count: 2
pocket vol.: 412.0 Å3
d(Fe-oop): 0.517 Å
Not assigned.
9cuf-A-502
sad. +0.73
ruf. +0.11
dom. +0.04
bre. -0.27
HIS chainID: A,
resSeq: 161,
molecule: Cytochrome c-552
oxidoreductase
oligomeric count: 2
pocket vol.: 451.0 Å3
d(Fe-oop): 0.015 Å
HIS chainID: A, resSeq: 294,

molecule: Cytochrome c-552

9cuf-A-503
sad. -0.26
ruf. -1.19
dom. -0.19
bre. -0.16
HIS chainID: A,
resSeq: 91,
molecule: Cytochrome c-552
oxidoreductase
oligomeric count: 2
pocket vol.: 438.0 Å3
d(Fe-oop): 0.006 Å
HIS chainID: A, resSeq: 203,

molecule: Cytochrome c-552

9cuf-A-504
sad. +0.00
ruf. -0.54
dom. +0.09
bre. -0.10
HIS chainID: A,
resSeq: 279,
molecule: Cytochrome c-552
oxidoreductase
oligomeric count: 2
pocket vol.: 506.0 Å3
d(Fe-oop): 0.187 Å
HIS chainID: A, resSeq: 386,

molecule: Cytochrome c-552

9cuf-A-505
sad. -0.01
ruf. -0.80
dom. +0.09
bre. -0.11
HIS chainID: A,
resSeq: 268,
molecule: Cytochrome c-552
oxidoreductase
oligomeric count: 2
pocket vol.: 489.0 Å3
d(Fe-oop): 0.154 Å
HIS chainID: A, resSeq: 311,

molecule: Cytochrome c-552

9cuf-B-501
sad. +0.79
ruf. -0.27
dom. +0.33
bre. -0.18
LYS chainID: B,
resSeq: 123,
molecule: Cytochrome c-552
oxidoreductase
oligomeric count: 2
pocket vol.: 423.0 Å3
d(Fe-oop): 0.092 Å
Not assigned.
9cuf-B-502
sad. +0.33
ruf. -1.80
dom. -0.82
bre. +0.20
HIS chainID: B,
resSeq: 161,
molecule: Cytochrome c-552
oxidoreductase
oligomeric count: 2
pocket vol.: 461.0 Å3
d(Fe-oop): 0.191 Å
HIS chainID: B, resSeq: 294,

molecule: Cytochrome c-552

9cuf-B-503
sad. -0.38
ruf. -0.74
dom. +0.21
bre. -0.21
HIS chainID: B,
resSeq: 91,
molecule: Cytochrome c-552
oxidoreductase
oligomeric count: 2
pocket vol.: 439.0 Å3
d(Fe-oop): 0.191 Å
HIS chainID: B, resSeq: 203,

molecule: Cytochrome c-552

9cuf-B-504
sad. -0.52
ruf. -1.14
dom. +0.05
bre. -0.07
HIS chainID: B,
resSeq: 279,
molecule: Cytochrome c-552
oxidoreductase
oligomeric count: 2
pocket vol.: 503.0 Å3
d(Fe-oop): 0.131 Å
HIS chainID: B, resSeq: 386,

molecule: Cytochrome c-552

9cuf-B-505
sad. -0.28
ruf. -0.61
dom. +0.01
bre. +0.04
HIS chainID: B,
resSeq: 268,
molecule: Cytochrome c-552
oxidoreductase
oligomeric count: 2
pocket vol.: 497.0 Å3
d(Fe-oop): 0.096 Å
HIS chainID: B, resSeq: 311,

molecule: Cytochrome c-552

9dm1-R-602
sad. -0.01
ruf. +0.00
dom. +0.00
bre. -0.07
HIS chainID: R,
resSeq: 397,
molecule: Cytochrome c oxidase subunit 1
translocase
oligomeric count: 25
pocket vol.: 764.0 Å3
d(Fe-oop): 0.005 Å
Not assigned.
9dm1-R-603
sad. -0.00
ruf. -0.00
dom. +0.01
bre. -0.03
HIS chainID: R,
resSeq: 86,
molecule: Cytochrome c oxidase subunit 1
translocase
oligomeric count: 25
pocket vol.: 646.0 Å3
d(Fe-oop): 0.007 Å
HIS chainID: R, resSeq: 399,

molecule: Cytochrome c oxidase subunit 1

9dm1-E-601
sad. -1.22
ruf. -0.68
dom. +0.14
bre. +0.01
HIS chainID: E,
resSeq: 123,
molecule: Cytochrome bc1 complex cytochrome b subunit
translocase
oligomeric count: 25
pocket vol.: 345.0 Å3
d(Fe-oop): 0.146 Å
HIS chainID: E, resSeq: 226,

molecule: Cytochrome bc1 complex cytochrome b subunit

9dm1-E-602
sad. -0.59
ruf. -0.06
dom. +0.14
bre. -0.11
HIS chainID: E,
resSeq: 109,
molecule: Cytochrome bc1 complex cytochrome b subunit
translocase
oligomeric count: 25
pocket vol.: 340.0 Å3
d(Fe-oop): 0.157 Å
HIS chainID: E, resSeq: 211,

molecule: Cytochrome bc1 complex cytochrome b subunit