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ID of heme Axial ligands on heme Function & structure
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

6v0a-A-502
sad. +0.49
ruf. -0.67
dom. -0.26
bre. -0.10
HIS chainID: A,
resSeq: 175,
molecule: Nitrite reductase (cytochrome; ammonia-forming)
oxidoreductase
oligomeric count: 2
pocket vol.: 389.0 Å3
d(Fe-oop): 0.012 Å
HIS chainID: A, resSeq: 315,

molecule: Nitrite reductase (cytochrome; ammonia-forming)

6v0a-A-503
sad. -0.25
ruf. -1.11
dom. +0.03
bre. -0.00
HIS chainID: A,
resSeq: 108,
molecule: Nitrite reductase (cytochrome; ammonia-forming)
oxidoreductase
oligomeric count: 2
pocket vol.: 427.0 Å3
d(Fe-oop): 0.009 Å
HIS chainID: A, resSeq: 218,

molecule: Nitrite reductase (cytochrome; ammonia-forming)

6v0a-A-504
sad. +0.61
ruf. -1.10
dom. -0.14
bre. +0.06
HIS chainID: A,
resSeq: 301,
molecule: Nitrite reductase (cytochrome; ammonia-forming)
oxidoreductase
oligomeric count: 2
pocket vol.: 380.0 Å3
d(Fe-oop): 0.148 Å
HIS chainID: A, resSeq: 412,

molecule: Nitrite reductase (cytochrome; ammonia-forming)

6v0a-A-505
sad. +0.24
ruf. -0.96
dom. +0.12
bre. -0.14
HIS chainID: A,
resSeq: 290,
molecule: Nitrite reductase (cytochrome; ammonia-forming)
oxidoreductase
oligomeric count: 2
pocket vol.: 477.0 Å3
d(Fe-oop): 0.084 Å
HIS chainID: A, resSeq: 332,

molecule: Nitrite reductase (cytochrome; ammonia-forming)

6v0a-B-501
sad. +0.52
ruf. -0.57
dom. -0.02
bre. -0.30
LYS chainID: B,
resSeq: 133,
molecule: Nitrite reductase (cytochrome; ammonia-forming)
oxidoreductase
oligomeric count: 2
pocket vol.: 440.0 Å3
d(Fe-oop): 0.049 Å
SO4 chainID: B, resSeq: 506,

molecule: SULFATE ION

6v0a-B-502
sad. +0.45
ruf. -0.66
dom. -0.40
bre. -0.16
HIS chainID: B,
resSeq: 175,
molecule: Nitrite reductase (cytochrome; ammonia-forming)
oxidoreductase
oligomeric count: 2
pocket vol.: 392.0 Å3
d(Fe-oop): 0.016 Å
HIS chainID: B, resSeq: 315,

molecule: Nitrite reductase (cytochrome; ammonia-forming)

6v0a-B-503
sad. -0.20
ruf. -0.84
dom. -0.12
bre. -0.09
HIS chainID: B,
resSeq: 108,
molecule: Nitrite reductase (cytochrome; ammonia-forming)
oxidoreductase
oligomeric count: 2
pocket vol.: 439.0 Å3
d(Fe-oop): 0.040 Å
HIS chainID: B, resSeq: 218,

molecule: Nitrite reductase (cytochrome; ammonia-forming)

6v0a-B-504
sad. +0.63
ruf. -1.03
dom. -0.05
bre. -0.08
HIS chainID: B,
resSeq: 301,
molecule: Nitrite reductase (cytochrome; ammonia-forming)
oxidoreductase
oligomeric count: 2
pocket vol.: 399.0 Å3
d(Fe-oop): 0.021 Å
HIS chainID: B, resSeq: 412,

molecule: Nitrite reductase (cytochrome; ammonia-forming)

6v0a-B-505
sad. +0.03
ruf. -1.34
dom. +0.15
bre. -0.09
HIS chainID: B,
resSeq: 290,
molecule: Nitrite reductase (cytochrome; ammonia-forming)
oxidoreductase
oligomeric count: 2
pocket vol.: 466.0 Å3
d(Fe-oop): 0.001 Å
HIS chainID: B, resSeq: 332,

molecule: Nitrite reductase (cytochrome; ammonia-forming)

6v0a-C-501
sad. +0.44
ruf. -0.78
dom. +0.04
bre. -0.15
LYS chainID: C,
resSeq: 133,
molecule: Nitrite reductase (cytochrome; ammonia-forming)
oxidoreductase
oligomeric count: 2
pocket vol.: 433.0 Å3
d(Fe-oop): 0.071 Å
SO4 chainID: C, resSeq: 506,

molecule: SULFATE ION

6v0a-C-502
sad. +0.64
ruf. -0.64
dom. -0.22
bre. -0.04
HIS chainID: C,
resSeq: 175,
molecule: Nitrite reductase (cytochrome; ammonia-forming)
oxidoreductase
oligomeric count: 2
pocket vol.: 388.0 Å3
d(Fe-oop): 0.003 Å
HIS chainID: C, resSeq: 315,

molecule: Nitrite reductase (cytochrome; ammonia-forming)

6v0a-C-503
sad. -0.25
ruf. -1.20
dom. -0.03
bre. -0.09
HIS chainID: C,
resSeq: 108,
molecule: Nitrite reductase (cytochrome; ammonia-forming)
oxidoreductase
oligomeric count: 2
pocket vol.: 448.0 Å3
d(Fe-oop): 0.010 Å
HIS chainID: C, resSeq: 218,

molecule: Nitrite reductase (cytochrome; ammonia-forming)

6v0a-C-504
sad. +0.63
ruf. -1.05
dom. -0.04
bre. -0.06
HIS chainID: C,
resSeq: 301,
molecule: Nitrite reductase (cytochrome; ammonia-forming)
oxidoreductase
oligomeric count: 2
pocket vol.: 405.0 Å3
d(Fe-oop): 0.016 Å
HIS chainID: C, resSeq: 412,

molecule: Nitrite reductase (cytochrome; ammonia-forming)

6v0a-C-505
sad. +0.07
ruf. -1.40
dom. +0.12
bre. +0.00
HIS chainID: C,
resSeq: 290,
molecule: Nitrite reductase (cytochrome; ammonia-forming)
oxidoreductase
oligomeric count: 2
pocket vol.: 484.0 Å3
d(Fe-oop): 0.160 Å
HIS chainID: C, resSeq: 332,

molecule: Nitrite reductase (cytochrome; ammonia-forming)