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ID of heme Axial ligands on heme Function & structure
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