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ID of heme Axial ligands on heme Function & structure
4z5p-A-401
sad. -0.27
ruf. +0.09
dom. -0.10
bre. -0.04
CYS chainID: A,
resSeq: 348,
molecule: Cytochrome P450 hydroxylase
oxidoreductase
oligomeric count: 1
pocket vol.: 443.0 Å3
d(Fe-oop): 0.037 Å
HOH chainID: A, resSeq: 403,

molecule: water

4z5p-B-401
sad. -0.22
ruf. -0.06
dom. -0.19
bre. -0.06
CYS chainID: B,
resSeq: 348,
molecule: Cytochrome P450 hydroxylase
oxidoreductase
oligomeric count: 1
pocket vol.: 430.0 Å3
d(Fe-oop): 0.042 Å
HOH chainID: B, resSeq: 403,

molecule: water

4z5q-A-401
sad. -0.49
ruf. -0.55
dom. -0.05
bre. -0.04
CYS chainID: A,
resSeq: 352,
molecule: Cytochrome P450 hydroxylase
oxidoreductase
oligomeric count: 1
pocket vol.: 420.0 Å3
d(Fe-oop): 0.041 Å
HOH chainID: A, resSeq: 409,

molecule: water

4zdy-A-601
sad. +0.18
ruf. -0.13
dom. +0.36
bre. -0.23
CYS chainID: A,
resSeq: 470,
molecule: Lanosterol 14-alpha demethylase
oxidoreductase
oligomeric count: 1
pocket vol.: 494.0 Å3
d(Fe-oop): 0.072 Å
1YN chainID: A, resSeq: 602,

molecule: 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one

4zdz-A-601
sad. +0.11
ruf. -0.10
dom. +0.27
bre. -0.27
CYS chainID: A,
resSeq: 470,
molecule: Lanosterol 14-alpha demethylase
oxidoreductase
oligomeric count: 1
pocket vol.: 493.0 Å3
d(Fe-oop): 0.140 Å
TPF chainID: A, resSeq: 602,

molecule: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL

4ze0-A-601
sad. +0.09
ruf. -0.10
dom. +0.23
bre. -0.21
CYS chainID: A,
resSeq: 470,
molecule: Lanosterol 14-alpha demethylase
oxidoreductase
oligomeric count: 1
pocket vol.: 475.0 Å3
d(Fe-oop): 0.047 Å
VOR chainID: A, resSeq: 602,

molecule: Voriconazole

4ze1-A-601
sad. +0.12
ruf. -0.14
dom. +0.27
bre. -0.20
CYS chainID: A,
resSeq: 470,
molecule: Lanosterol 14-alpha demethylase
oxidoreductase
oligomeric count: 1
pocket vol.: 472.0 Å3
d(Fe-oop): 0.083 Å
X2N chainID: A, resSeq: 602,

molecule: POSACONAZOLE

4ze2-A-601
sad. +0.08
ruf. +0.03
dom. +0.30
bre. -0.16
CYS chainID: A,
resSeq: 470,
molecule: Lanosterol 14-alpha demethylase
oxidoreductase
oligomeric count: 1
pocket vol.: 510.0 Å3
d(Fe-oop): 0.054 Å
1YN chainID: A, resSeq: 602,

molecule: 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one

4ze3-A-601
sad. +0.03
ruf. -0.14
dom. +0.31
bre. -0.25
CYS chainID: A,
resSeq: 470,
molecule: Lanosterol 14-alpha demethylase
oxidoreductase
oligomeric count: 1
pocket vol.: 495.0 Å3
d(Fe-oop): 0.064 Å
TPF chainID: A, resSeq: 602,

molecule: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL

4zf6-A-501
sad. -0.28
ruf. -0.55
dom. -0.00
bre. -0.24
CYS chainID: A,
resSeq: 400,
molecule: Bifunctional P-450/NADPH-P450 reductase
oxidoreductase
oligomeric count: 1
pocket vol.: 439.0 Å3
d(Fe-oop): 0.110 Å
Not assigned.
4zf8-A-501
sad. -0.19
ruf. -0.72
dom. +0.04
bre. -0.20
CYS chainID: A,
resSeq: 400,
molecule: Bifunctional P-450/NADPH-P450 reductase
oxidoreductase
oligomeric count: 1
pocket vol.: 423.0 Å3
d(Fe-oop): 0.180 Å
MYT chainID: A, resSeq: 502,

molecule: METYRAPONE

4zfa-A-501
sad. -0.39
ruf. -0.62
dom. +0.03
bre. -0.23
CYS chainID: A,
resSeq: 400,
molecule: Bifunctional P-450/NADPH-P450 reductase
oxidoreductase
oligomeric count: 1
pocket vol.: 403.0 Å3
d(Fe-oop): 0.159 Å
EDO chainID: A, resSeq: 503,

molecule: 1,2-ETHANEDIOL

4zfb-A-501
sad. -0.24
ruf. -0.51
dom. +0.17
bre. -0.25
CYS chainID: A,
resSeq: 400,
molecule: Bifunctional P-450/NADPH-P450 reductase
oxidoreductase
oligomeric count: 1
pocket vol.: 415.0 Å3
d(Fe-oop): 0.043 Å
Not assigned.
4zgx-A-601
sad. +0.11
ruf. -0.38
dom. +0.21
bre. +0.08
CYS chainID: A,
resSeq: 450,
molecule: Cytochrome P450 11B2, mitochondrial
oxidoreductase
oligomeric count: 1
pocket vol.: 423.0 Å3
d(Fe-oop): 0.202 Å
QHC chainID: A, resSeq: 602,

molecule: N-[(8R)-4-(4-chloro-3-fluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide

4zgx-B-601
sad. -0.07
ruf. -0.02
dom. +0.20
bre. -0.05
CYS chainID: B,
resSeq: 450,
molecule: Cytochrome P450 11B2, mitochondrial
oxidoreductase
oligomeric count: 1
pocket vol.: 392.0 Å3
d(Fe-oop): 0.144 Å
QHC chainID: B, resSeq: 602,

molecule: N-[(8R)-4-(4-chloro-3-fluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide

4zgx-C-601
sad. +0.07
ruf. -0.13
dom. +0.19
bre. +0.11
CYS chainID: C,
resSeq: 450,
molecule: Cytochrome P450 11B2, mitochondrial
oxidoreductase
oligomeric count: 1
pocket vol.: 406.0 Å3
d(Fe-oop): 0.068 Å
QHC chainID: C, resSeq: 602,

molecule: N-[(8R)-4-(4-chloro-3-fluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide

4zgx-D-601
sad. +0.13
ruf. -0.26
dom. +0.25
bre. +0.10
CYS chainID: D,
resSeq: 450,
molecule: Cytochrome P450 11B2, mitochondrial
oxidoreductase
oligomeric count: 1
pocket vol.: 389.0 Å3
d(Fe-oop): 0.156 Å
QHC chainID: D, resSeq: 602,

molecule: N-[(8R)-4-(4-chloro-3-fluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide

4zgx-E-601
sad. -0.04
ruf. -0.01
dom. +0.15
bre. +0.22
CYS chainID: E,
resSeq: 450,
molecule: Cytochrome P450 11B2, mitochondrial
oxidoreductase
oligomeric count: 1
pocket vol.: 417.0 Å3
d(Fe-oop): 0.136 Å
QHC chainID: E, resSeq: 602,

molecule: N-[(8R)-4-(4-chloro-3-fluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide

4zgx-F-601
sad. -0.01
ruf. -0.16
dom. +0.18
bre. +0.15
CYS chainID: F,
resSeq: 450,
molecule: Cytochrome P450 11B2, mitochondrial
oxidoreductase
oligomeric count: 1
pocket vol.: 408.0 Å3
d(Fe-oop): 0.125 Å
QHC chainID: F, resSeq: 602,

molecule: N-[(8R)-4-(4-chloro-3-fluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide

4zgx-G-601
sad. +0.04
ruf. -0.29
dom. +0.36
bre. +0.24
CYS chainID: G,
resSeq: 450,
molecule: Cytochrome P450 11B2, mitochondrial
oxidoreductase
oligomeric count: 1
pocket vol.: 419.0 Å3
d(Fe-oop): 0.244 Å
Not assigned.