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ID of heme Axial ligands on heme Function & structure
36ez-A-607
sad. -0.36
ruf. +0.01
dom. +0.25
bre. -0.46
HIS chainID: A,
resSeq: 61,
molecule: Cytochrome c oxidase subunit 1
oxidoreductase
oligomeric count: 26
pocket vol.: 559.0 Å3
d(Fe-oop): 0.043 Å
HIS chainID: A, resSeq: 378,

molecule: Cytochrome c oxidase subunit 1

36ez-N-607
sad. -0.13
ruf. -0.06
dom. +0.41
bre. -0.46
HIS chainID: N,
resSeq: 376,
molecule: Cytochrome c oxidase subunit 1
oxidoreductase
oligomeric count: 26
pocket vol.: 689.0 Å3
d(Fe-oop): 0.081 Å
SCN chainID: N, resSeq: 614,

molecule: THIOCYANATE ION

36ez-N-608
sad. -0.28
ruf. +0.12
dom. +0.22
bre. -0.49
HIS chainID: N,
resSeq: 61,
molecule: Cytochrome c oxidase subunit 1
oxidoreductase
oligomeric count: 26
pocket vol.: 609.0 Å3
d(Fe-oop): 0.061 Å
HIS chainID: N, resSeq: 378,

molecule: Cytochrome c oxidase subunit 1

38fu-A-601
sad. -0.39
ruf. +0.34
dom. -0.44
bre. -0.11
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 3
pocket vol.: 550.0 Å3
d(Fe-oop): 0.168 Å
Not assigned.
38fu-B-601
sad. -0.40
ruf. +0.34
dom. -0.44
bre. -0.11
CYS chainID: B,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 3
pocket vol.: 549.0 Å3
d(Fe-oop): 0.168 Å
Not assigned.
38fu-C-601
sad. -0.40
ruf. +0.34
dom. -0.44
bre. -0.11
CYS chainID: C,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 3
pocket vol.: 542.0 Å3
d(Fe-oop): 0.168 Å
Not assigned.
38fv-A-601
sad. +0.12
ruf. -0.03
dom. -0.24
bre. -0.20
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 3
pocket vol.: 479.0 Å3
d(Fe-oop): 0.129 Å
RIT chainID: A, resSeq: 602,

molecule: RITONAVIR

38fv-B-601
sad. +0.12
ruf. -0.03
dom. -0.24
bre. -0.20
CYS chainID: B,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 3
pocket vol.: 482.0 Å3
d(Fe-oop): 0.129 Å
RIT chainID: B, resSeq: 602,

molecule: RITONAVIR

38fv-C-601
sad. +0.12
ruf. -0.03
dom. -0.24
bre. -0.20
CYS chainID: C,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 3
pocket vol.: 486.0 Å3
d(Fe-oop): 0.130 Å
RIT chainID: C, resSeq: 602,

molecule: RITONAVIR

38fw-A-601
sad. -0.43
ruf. +0.21
dom. -0.07
bre. -0.14
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 3
pocket vol.: 458.0 Å3
d(Fe-oop): 0.002 Å
KKK chainID: A, resSeq: 603,

molecule: 1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine

38fw-B-601
sad. -0.43
ruf. +0.21
dom. -0.07
bre. -0.14
CYS chainID: B,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 3
pocket vol.: 470.0 Å3
d(Fe-oop): 0.002 Å
KKK chainID: B, resSeq: 603,

molecule: 1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine

38fw-C-601
sad. -0.43
ruf. +0.21
dom. -0.07
bre. -0.14
CYS chainID: C,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 3
pocket vol.: 466.0 Å3
d(Fe-oop): 0.002 Å
KKK chainID: C, resSeq: 603,

molecule: 1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine

38fx-A-601
sad. -0.13
ruf. -0.51
dom. -0.09
bre. -0.15
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 3
pocket vol.: 466.0 Å3
d(Fe-oop): 0.210 Å
Not assigned.
38fx-B-601
sad. -0.14
ruf. -0.50
dom. -0.09
bre. -0.15
CYS chainID: B,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 3
pocket vol.: 451.0 Å3
d(Fe-oop): 0.212 Å
Not assigned.
38fx-C-602
sad. -0.14
ruf. -0.50
dom. -0.09
bre. -0.15
CYS chainID: C,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 3
pocket vol.: 455.0 Å3
d(Fe-oop): 0.208 Å
Not assigned.
38fy-A-602
sad. -0.37
ruf. -0.03
dom. +0.01
bre. -0.19
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 3
pocket vol.: 431.0 Å3
d(Fe-oop): 0.065 Å
Not assigned.
38fy-B-601
sad. -0.37
ruf. -0.03
dom. +0.01
bre. -0.19
CYS chainID: B,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 3
pocket vol.: 441.0 Å3
d(Fe-oop): 0.066 Å
Not assigned.
38fy-C-601
sad. -0.37
ruf. -0.03
dom. +0.01
bre. -0.19
CYS chainID: C,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 3
pocket vol.: 452.0 Å3
d(Fe-oop): 0.065 Å
Not assigned.
3a0b-E-1040
sad. -0.00
ruf. +0.00
dom. +0.00
bre. -0.30
HIS chainID: E,
resSeq: 23,
molecule: Cytochrome b559 subunit alpha
electron transporter
oligomeric count: 40
pocket vol.: 565.0 Å3
d(Fe-oop): 0.000 Å
HIS chainID: F, resSeq: 24,

molecule: Cytochrome b559 subunit beta

3a0b-V-1041
sad. -0.00
ruf. -0.00
dom. +0.00
bre. -0.30
HIS chainID: V,
resSeq: 67,
molecule: Cytochrome c-550
electron transporter
oligomeric count: 40
pocket vol.: 539.0 Å3
d(Fe-oop): 0.000 Å
HIS chainID: V, resSeq: 118,

molecule: Cytochrome c-550