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ID of heme Axial ligands on heme Function & structure
9bv6-A-601
sad. -0.01
ruf. +0.27
dom. -0.11
bre. -0.19
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 1
pocket vol.: 422.0 Å3
d(Fe-oop): 0.050 Å
A1ASU chainID: A, resSeq: 602,

molecule: 5-(4-methoxyphenyl)-1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-1,2,3-triazole

9bv7-A-601
sad. -0.02
ruf. +0.29
dom. +0.09
bre. -0.22
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 1
pocket vol.: 454.0 Å3
d(Fe-oop): 0.046 Å
A1AST chainID: A, resSeq: 602,

molecule: 3-(2-chlorophenyl)-N-{[(2S,7M)-7-(pyridin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl}propanamide

9bv8-A-601
sad. -0.01
ruf. +0.24
dom. -0.05
bre. -0.19
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 1
pocket vol.: 434.0 Å3
d(Fe-oop): 0.033 Å
A1ASS chainID: A, resSeq: 602,

molecule: N-[(2P)-2-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide

9bv9-A-601
sad. -0.01
ruf. +0.41
dom. -0.05
bre. -0.22
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 1
pocket vol.: 441.0 Å3
d(Fe-oop): 0.032 Å
A1ASR chainID: A, resSeq: 602,

molecule: N-(2-chlorophenyl)-N'-[(2P)-2-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]urea

9bva-A-601
sad. +0.02
ruf. +0.10
dom. +0.11
bre. -0.19
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 1
pocket vol.: 423.0 Å3
d(Fe-oop): 0.048 Å
A1ASQ chainID: A, resSeq: 602,

molecule: N-[2-(2-chloroethyl)phenyl]-N'-[(2P)-2-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]urea

9bvb-A-601
sad. +0.01
ruf. +0.54
dom. -0.17
bre. -0.18
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 1
pocket vol.: 432.0 Å3
d(Fe-oop): 0.065 Å
A1ASP chainID: A, resSeq: 602,

molecule: 2-(2-chlorophenyl)-N-[(2P)-2-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide

9bvc-A-601
sad. -0.06
ruf. +0.49
dom. -0.13
bre. -0.20
CYS chainID: A,
resSeq: 442,
molecule: Cytochrome P450 3A4
oxidoreductase
oligomeric count: 1
pocket vol.: 463.0 Å3
d(Fe-oop): 0.048 Å
A1ASO chainID: A, resSeq: 602,

molecule: N-(2-chlorophenyl)-N-[(3-hydroxyphenyl)methyl]-N'-[(2P)-2-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]urea

9bw8-A-403
sad. -0.44
ruf. +0.40
dom. -0.06
bre. +0.05
CYS chainID: A,
resSeq: 344,
molecule: Cytochrome P450-SU1
oxidoreductase
oligomeric count: 1
pocket vol.: 471.0 Å3
d(Fe-oop): 0.187 Å
HOH chainID: A, resSeq: 580,

molecule: water

9bw8-B-403
sad. -0.39
ruf. -0.50
dom. +0.06
bre. -0.08
CYS chainID: B,
resSeq: 344,
molecule: Cytochrome P450-SU1
oxidoreductase
oligomeric count: 1
pocket vol.: 446.0 Å3
d(Fe-oop): 0.123 Å
HOH chainID: B, resSeq: 597,

molecule: water

9bw8-C-402
sad. -0.49
ruf. +0.47
dom. -0.13
bre. +0.04
CYS chainID: C,
resSeq: 344,
molecule: Cytochrome P450-SU1
oxidoreductase
oligomeric count: 2
pocket vol.: 438.0 Å3
d(Fe-oop): 0.198 Å
HOH chainID: E, resSeq: 101,

molecule: water

9bxv-7-401
sad. -0.02
ruf. -0.23
dom. -0.26
bre. -0.13
HIS chainID: 7,
resSeq: 83,
molecule: Cytochrome b
electron transporter
oligomeric count: 67
pocket vol.: 410.0 Å3
d(Fe-oop): 0.372 Å
HIS chainID: 7, resSeq: 182,

molecule: Cytochrome b

9bxv-7-402
sad. -0.52
ruf. -0.39
dom. +0.48
bre. -0.10
HIS chainID: 7,
resSeq: 97,
molecule: Cytochrome b
electron transporter
oligomeric count: 67
pocket vol.: 443.0 Å3
d(Fe-oop): 0.397 Å
HIS chainID: 7, resSeq: 196,

molecule: Cytochrome b

9bxv-8-401
sad. -0.17
ruf. +0.08
dom. -0.26
bre. -0.21
MET chainID: 8,
resSeq: 245,
molecule: Cytochrome c1
electron transporter
oligomeric count: 67
pocket vol.: 476.0 Å3
d(Fe-oop): 0.049 Å
Not assigned.
9bxv-w-401
sad. -0.49
ruf. -0.30
dom. +0.32
bre. -0.15
HIS chainID: w,
resSeq: 196,
molecule: Cytochrome b
electron transporter
oligomeric count: 67
pocket vol.: 466.0 Å3
d(Fe-oop): 0.053 Å
Not assigned.
9bxv-w-402
sad. +0.10
ruf. -0.27
dom. +0.49
bre. -0.14
HIS chainID: w,
resSeq: 182,
molecule: Cytochrome b
electron transporter
oligomeric count: 67
pocket vol.: 464.0 Å3
d(Fe-oop): 0.026 Å
Not assigned.
9bxv-x-401
sad. +0.14
ruf. -0.32
dom. +0.17
bre. -0.23
HIS chainID: x,
resSeq: 126,
molecule: Cytochrome c1
electron transporter
oligomeric count: 67
pocket vol.: 418.0 Å3
d(Fe-oop): 0.036 Å
MET chainID: x, resSeq: 245,

molecule: Cytochrome c1

9c1y-A-801
sad. -0.44
ruf. -0.50
dom. +0.42
bre. -0.24
CYS chainID: A,
resSeq: 420,
molecule: Nitric oxide synthase, brain
oxidoreductase
oligomeric count: 2
pocket vol.: 521.0 Å3
d(Fe-oop): 0.426 Å
Not assigned.
9c1y-B-802
sad. -0.38
ruf. -0.37
dom. +0.46
bre. -0.24
CYS chainID: B,
resSeq: 420,
molecule: Nitric oxide synthase, brain
oxidoreductase
oligomeric count: 2
pocket vol.: 537.0 Å3
d(Fe-oop): 0.300 Å
Not assigned.
9c1y-C-801
sad. -0.36
ruf. -0.63
dom. +0.52
bre. -0.21
CYS chainID: C,
resSeq: 420,
molecule: Nitric oxide synthase, brain
oxidoreductase
oligomeric count: 2
pocket vol.: 554.0 Å3
d(Fe-oop): 0.356 Å
Not assigned.
9c1y-D-801
sad. -0.39
ruf. -0.50
dom. +0.51
bre. -0.22
CYS chainID: D,
resSeq: 420,
molecule: Nitric oxide synthase, brain
oxidoreductase
oligomeric count: 2
pocket vol.: 510.0 Å3
d(Fe-oop): 0.357 Å
Not assigned.