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ID of heme Axial ligands on heme Function & structure
4k9w-C-601
sad. -0.46
ruf. +0.37
dom. -0.09
bre. -0.40
CYS chainID: C,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 1
pocket vol.: 411.0 Å3
d(Fe-oop): 0.427 Å
7AW chainID: C, resSeq: 602,

molecule: N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2R,5S)-1-phenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}octan-2-yl]-L-valinamide

4k9w-D-601
sad. -0.48
ruf. +0.54
dom. -0.13
bre. -0.31
CYS chainID: D,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 1
pocket vol.: 424.0 Å3
d(Fe-oop): 0.474 Å
7AW chainID: D, resSeq: 602,

molecule: N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2R,5S)-1-phenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}octan-2-yl]-L-valinamide

4k9x-A-601
sad. -0.42
ruf. +0.10
dom. +0.03
bre. -0.27
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 1
pocket vol.: 416.0 Å3
d(Fe-oop): 0.425 Å
8AW chainID: A, resSeq: 602,

molecule: 1,3-thiazol-5-ylmethyl [(2R,5R)-5-{[(2S)-2-methylbutanoyl]amino}-1,6-diphenylhexan-2-yl]carbamate

4kch-A-801
sad. -0.45
ruf. -0.47
dom. +0.72
bre. -0.34
CYS chainID: A,
resSeq: 415,
molecule: Nitric oxide synthase, brain
oxidoreductase
oligomeric count: 2
pocket vol.: 530.0 Å3
d(Fe-oop): 0.453 Å
Not assigned.
4kch-B-801
sad. -0.53
ruf. -0.39
dom. +0.76
bre. -0.39
CYS chainID: B,
resSeq: 415,
molecule: Nitric oxide synthase, brain
oxidoreductase
oligomeric count: 2
pocket vol.: 548.0 Å3
d(Fe-oop): 0.426 Å
Not assigned.
4kci-A-801
sad. -0.41
ruf. -0.47
dom. +0.60
bre. -0.26
CYS chainID: A,
resSeq: 415,
molecule: Nitric oxide synthase, brain
oxidoreductase
oligomeric count: 2
pocket vol.: 537.0 Å3
d(Fe-oop): 0.408 Å
Not assigned.
4kci-B-801
sad. -0.47
ruf. -0.48
dom. +0.71
bre. -0.24
CYS chainID: B,
resSeq: 415,
molecule: Nitric oxide synthase, brain
oxidoreductase
oligomeric count: 2
pocket vol.: 546.0 Å3
d(Fe-oop): 0.357 Å
Not assigned.
4kcj-A-801
sad. -0.55
ruf. -0.59
dom. +0.70
bre. -0.42
CYS chainID: A,
resSeq: 415,
molecule: Nitric oxide synthase, brain
oxidoreductase
oligomeric count: 2
pocket vol.: 516.0 Å3
d(Fe-oop): 0.405 Å
Not assigned.
4kcj-B-801
sad. -0.64
ruf. -0.43
dom. +0.68
bre. -0.35
CYS chainID: B,
resSeq: 415,
molecule: Nitric oxide synthase, brain
oxidoreductase
oligomeric count: 2
pocket vol.: 546.0 Å3
d(Fe-oop): 0.371 Å
Not assigned.
4kck-A-801
sad. -0.49
ruf. -0.45
dom. +0.76
bre. -0.32
CYS chainID: A,
resSeq: 415,
molecule: Nitric oxide synthase, brain
oxidoreductase
oligomeric count: 2
pocket vol.: 535.0 Å3
d(Fe-oop): 0.455 Å
Not assigned.
4kck-B-801
sad. -0.59
ruf. -0.60
dom. +0.73
bre. -0.24
CYS chainID: B,
resSeq: 415,
molecule: Nitric oxide synthase, brain
oxidoreductase
oligomeric count: 2
pocket vol.: 553.0 Å3
d(Fe-oop): 0.400 Å
Not assigned.
4kcl-A-801
sad. -0.66
ruf. -0.46
dom. +0.74
bre. -0.07
CYS chainID: A,
resSeq: 415,
molecule: Nitric oxide synthase, brain
oxidoreductase
oligomeric count: 2
pocket vol.: 519.0 Å3
d(Fe-oop): 0.042 Å
Not assigned.
4kcl-B-801
sad. -0.64
ruf. -0.48
dom. +0.81
bre. +0.09
CYS chainID: B,
resSeq: 415,
molecule: Nitric oxide synthase, brain
oxidoreductase
oligomeric count: 2
pocket vol.: 559.0 Å3
d(Fe-oop): 0.050 Å
Not assigned.
4kcm-A-801
sad. -0.54
ruf. -0.51
dom. +0.65
bre. -0.41
CYS chainID: A,
resSeq: 415,
molecule: Nitric oxide synthase, brain
oxidoreductase
oligomeric count: 2
pocket vol.: 514.0 Å3
d(Fe-oop): 0.388 Å
Not assigned.
4kcm-B-801
sad. -0.56
ruf. -0.62
dom. +0.79
bre. -0.35
CYS chainID: B,
resSeq: 415,
molecule: Nitric oxide synthase, brain
oxidoreductase
oligomeric count: 2
pocket vol.: 548.0 Å3
d(Fe-oop): 0.401 Å
Not assigned.
4kcn-A-801
sad. -0.66
ruf. -0.39
dom. +0.76
bre. -0.01
CYS chainID: A,
resSeq: 415,
molecule: Nitric oxide synthase, brain
oxidoreductase
oligomeric count: 2
pocket vol.: 512.0 Å3
d(Fe-oop): 0.044 Å
Not assigned.
4kcn-B-801
sad. -0.74
ruf. -0.28
dom. +0.83
bre. +0.08
CYS chainID: B,
resSeq: 415,
molecule: Nitric oxide synthase, brain
oxidoreductase
oligomeric count: 2
pocket vol.: 571.0 Å3
d(Fe-oop): 0.051 Å
Not assigned.
4kco-A-801
sad. -0.66
ruf. -0.32
dom. +0.74
bre. +0.03
CYS chainID: A,
resSeq: 415,
molecule: Nitric oxide synthase, brain
oxidoreductase
oligomeric count: 2
pocket vol.: 522.0 Å3
d(Fe-oop): 0.046 Å
Not assigned.
4kco-B-801
sad. -0.72
ruf. -0.35
dom. +0.83
bre. +0.07
CYS chainID: B,
resSeq: 415,
molecule: Nitric oxide synthase, brain
oxidoreductase
oligomeric count: 2
pocket vol.: 557.0 Å3
d(Fe-oop): 0.055 Å
Not assigned.
4kcp-A-501
sad. -0.49
ruf. -0.27
dom. +0.79
bre. +0.11
CYS chainID: A,
resSeq: 186,
molecule: Nitric oxide synthase, endothelial
oxidoreductase
oligomeric count: 2
pocket vol.: 518.0 Å3
d(Fe-oop): 0.070 Å
Not assigned.