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ID of heme Axial ligands on heme Function & structure
6unm-A-601
sad. -0.14
ruf. +0.01
dom. +0.17
bre. -0.15
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 2
pocket vol.: 392.0 Å3
d(Fe-oop): 0.012 Å
QDP chainID: A, resSeq: 602,

molecule: tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2S)-3-(naphthalen-1-yl)-1-oxo-1-{(E)-[2-(pyridin-3-yl)ethylidene]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate

6unm-B-601
sad. +0.02
ruf. -0.12
dom. +0.10
bre. -0.18
CYS chainID: B,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 2
pocket vol.: 430.0 Å3
d(Fe-oop): 0.084 Å
Not assigned.
6unn-A-501
sad. -0.34
ruf. -0.70
dom. -0.05
bre. -0.20
CYS chainID: A,
resSeq: 358,
molecule: CYP199A4
oxidoreductase
oligomeric count: 1
pocket vol.: 374.0 Å3
d(Fe-oop): 0.372 Å
Not assigned.
6upg-A-401
sad. -0.45
ruf. -0.67
dom. -0.06
bre. -0.10
CYS chainID: A,
resSeq: 345,
molecule: Mycocyclosin synthase
oxidoreductase
oligomeric count: 1
pocket vol.: 450.0 Å3
d(Fe-oop): 0.236 Å
Not assigned.
6upi-A-401
sad. -0.40
ruf. -0.76
dom. -0.05
bre. -0.20
CYS chainID: A,
resSeq: 345,
molecule: Mycocyclosin synthase
oxidoreductase
oligomeric count: 1
pocket vol.: 454.0 Å3
d(Fe-oop): 0.231 Å
QFD chainID: A, resSeq: 402,

molecule: (3S,6S)-3-{[4-(hydroxymethoxy)phenyl]methyl}-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione

6urb-A-301
sad. -0.09
ruf. -0.27
dom. +0.17
bre. -0.03
TYR chainID: A,
resSeq: 75,
molecule: HasAp
heme acquisition
oligomeric count: 2
pocket vol.: 685.0 Å3
d(Fe-oop): 0.196 Å
Not assigned.
6urb-B-301
sad. -0.18
ruf. -0.14
dom. -0.07
bre. -0.15
TYR chainID: B,
resSeq: 75,
molecule: HasAp
heme acquisition
oligomeric count: 2
pocket vol.: 657.0 Å3
d(Fe-oop): 0.271 Å
Not assigned.
6uw2-A-501
sad. +0.12
ruf. +0.08
dom. +0.00
bre. -0.06
CYS chainID: A,
resSeq: 434,
molecule: Obtusifoliol 14alphademethylase
oxidoreductase
oligomeric count: 1
pocket vol.: 464.0 Å3
d(Fe-oop): 0.014 Å
CL6 chainID: A, resSeq: 502,

molecule: 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE

6uw2-B-501
sad. +0.03
ruf. -0.38
dom. -0.07
bre. -0.04
CYS chainID: B,
resSeq: 434,
molecule: Obtusifoliol 14alphademethylase
oxidoreductase
oligomeric count: 1
pocket vol.: 440.0 Å3
d(Fe-oop): 0.026 Å
CL6 chainID: B, resSeq: 502,

molecule: 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE

6uw2-C-501
sad. +0.11
ruf. -0.46
dom. +0.01
bre. +0.05
CYS chainID: C,
resSeq: 434,
molecule: Obtusifoliol 14alphademethylase
oxidoreductase
oligomeric count: 1
pocket vol.: 467.0 Å3
d(Fe-oop): 0.025 Å
CL6 chainID: C, resSeq: 502,

molecule: 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE

6uw2-D-501
sad. +0.06
ruf. -0.37
dom. +0.07
bre. -0.04
CYS chainID: D,
resSeq: 434,
molecule: Obtusifoliol 14alphademethylase
oxidoreductase
oligomeric count: 1
pocket vol.: 446.0 Å3
d(Fe-oop): 0.035 Å
CL6 chainID: D, resSeq: 502,

molecule: 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE

6uw2-E-501
sad. +0.01
ruf. -0.20
dom. +0.04
bre. -0.05
CYS chainID: E,
resSeq: 434,
molecule: Obtusifoliol 14alphademethylase
oxidoreductase
oligomeric count: 1
pocket vol.: 470.0 Å3
d(Fe-oop): 0.029 Å
CL6 chainID: E, resSeq: 502,

molecule: 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE

6uw2-F-501
sad. +0.08
ruf. -0.39
dom. -0.01
bre. -0.03
CYS chainID: F,
resSeq: 434,
molecule: Obtusifoliol 14alphademethylase
oxidoreductase
oligomeric count: 1
pocket vol.: 459.0 Å3
d(Fe-oop): 0.043 Å
CL6 chainID: F, resSeq: 502,

molecule: 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE

6ux0-A-501
sad. +0.03
ruf. -0.05
dom. -0.00
bre. +0.02
CYS chainID: A,
resSeq: 434,
molecule: Obtusifoliol 14alphademethylase
oxidoreductase
oligomeric count: 1
pocket vol.: 450.0 Å3
d(Fe-oop): 0.013 Å
QKM chainID: A, resSeq: 502,

molecule: 4-{2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl}benzonitrile

6ux0-B-501
sad. +0.20
ruf. -0.49
dom. +0.06
bre. +0.01
CYS chainID: B,
resSeq: 434,
molecule: Obtusifoliol 14alphademethylase
oxidoreductase
oligomeric count: 1
pocket vol.: 445.0 Å3
d(Fe-oop): 0.017 Å
QKM chainID: B, resSeq: 502,

molecule: 4-{2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl}benzonitrile

6ux0-C-501
sad. +0.06
ruf. -0.50
dom. +0.06
bre. -0.02
CYS chainID: C,
resSeq: 434,
molecule: Obtusifoliol 14alphademethylase
oxidoreductase
oligomeric count: 1
pocket vol.: 443.0 Å3
d(Fe-oop): 0.024 Å
QKM chainID: C, resSeq: 502,

molecule: 4-{2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl}benzonitrile

6ux0-D-501
sad. +0.17
ruf. -0.30
dom. -0.14
bre. -0.03
CYS chainID: D,
resSeq: 434,
molecule: Obtusifoliol 14alphademethylase
oxidoreductase
oligomeric count: 1
pocket vol.: 452.0 Å3
d(Fe-oop): 0.017 Å
QKM chainID: D, resSeq: 502,

molecule: 4-{2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl}benzonitrile

6ux0-E-501
sad. +0.05
ruf. -0.13
dom. +0.02
bre. -0.05
CYS chainID: E,
resSeq: 434,
molecule: Obtusifoliol 14alphademethylase
oxidoreductase
oligomeric count: 1
pocket vol.: 446.0 Å3
d(Fe-oop): 0.015 Å
QKM chainID: E, resSeq: 502,

molecule: 4-{2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl}benzonitrile

6ux0-F-501
sad. +0.19
ruf. -0.43
dom. -0.07
bre. +0.03
CYS chainID: F,
resSeq: 434,
molecule: Obtusifoliol 14alphademethylase
oxidoreductase
oligomeric count: 1
pocket vol.: 440.0 Å3
d(Fe-oop): 0.018 Å
QKM chainID: F, resSeq: 502,

molecule: 4-{2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl}benzonitrile

6v0a-A-501
sad. +0.56
ruf. -0.67
dom. +0.09
bre. -0.14
LYS chainID: A,
resSeq: 133,
molecule: Nitrite reductase (cytochrome; ammonia-forming)
oxidoreductase
oligomeric count: 2
pocket vol.: 432.0 Å3
d(Fe-oop): 0.064 Å
SO4 chainID: A, resSeq: 506,

molecule: SULFATE ION