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ID of heme Axial ligands on heme Function & structure
6av6-B-502
sad. -0.47
ruf. -0.79
dom. +0.37
bre. -0.24
CYS chainID: B,
resSeq: 184,
molecule: Nitric oxide synthase, endothelial
oxidoreductase
oligomeric count: 2
pocket vol.: 562.0 Å3
d(Fe-oop): 0.329 Å
Not assigned.
6av6-C-501
sad. -0.32
ruf. -0.65
dom. +0.47
bre. -0.29
CYS chainID: C,
resSeq: 184,
molecule: Nitric oxide synthase, endothelial
oxidoreductase
oligomeric count: 2
pocket vol.: 539.0 Å3
d(Fe-oop): 0.285 Å
Not assigned.
6av6-D-501
sad. -0.35
ruf. -0.62
dom. +0.37
bre. -0.29
CYS chainID: D,
resSeq: 184,
molecule: Nitric oxide synthase, endothelial
oxidoreductase
oligomeric count: 2
pocket vol.: 566.0 Å3
d(Fe-oop): 0.339 Å
Not assigned.
6av7-A-501
sad. -0.53
ruf. -0.51
dom. +0.28
bre. -0.29
CYS chainID: A,
resSeq: 184,
molecule: Nitric oxide synthase, endothelial
oxidoreductase
oligomeric count: 2
pocket vol.: 511.0 Å3
d(Fe-oop): 0.148 Å
Not assigned.
6av7-B-501
sad. -0.60
ruf. -0.52
dom. +0.34
bre. -0.24
CYS chainID: B,
resSeq: 184,
molecule: Nitric oxide synthase, endothelial
oxidoreductase
oligomeric count: 2
pocket vol.: 538.0 Å3
d(Fe-oop): 0.357 Å
Not assigned.
6av7-C-501
sad. -0.53
ruf. -0.38
dom. +0.33
bre. -0.31
CYS chainID: C,
resSeq: 184,
molecule: Nitric oxide synthase, endothelial
oxidoreductase
oligomeric count: 2
pocket vol.: 532.0 Å3
d(Fe-oop): 0.362 Å
Not assigned.
6av7-D-501
sad. -0.54
ruf. -0.52
dom. +0.33
bre. -0.25
CYS chainID: D,
resSeq: 184,
molecule: Nitric oxide synthase, endothelial
oxidoreductase
oligomeric count: 2
pocket vol.: 539.0 Å3
d(Fe-oop): 0.325 Å
Not assigned.
6ay4-A-501
sad. -0.08
ruf. -0.41
dom. -0.12
bre. -0.56
CYS chainID: A,
resSeq: 430,
molecule: CYP51, sterol 14alpha-demethylase
oxidoreductase
oligomeric count: 1
pocket vol.: 476.0 Å3
d(Fe-oop): 0.009 Å
TPF chainID: A, resSeq: 506,

molecule: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL

6ay6-A-502
sad. -0.24
ruf. -0.41
dom. +0.12
bre. +0.17
CYS chainID: A,
resSeq: 430,
molecule: CYP51, sterol 14alpha-demethylase
oxidoreductase
oligomeric count: 1
pocket vol.: 455.0 Å3
d(Fe-oop): 0.034 Å
VOR chainID: A, resSeq: 501,

molecule: Voriconazole

6ayb-A-501
sad. -0.07
ruf. -0.41
dom. +0.07
bre. +0.07
CYS chainID: A,
resSeq: 430,
molecule: CYP51, sterol 14alpha-demethylase
oxidoreductase
oligomeric count: 1
pocket vol.: 455.0 Å3
d(Fe-oop): 0.009 Å
KKK chainID: A, resSeq: 508,

molecule: 1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine

6ayc-A-501
sad. -0.09
ruf. -0.45
dom. +0.07
bre. -0.14
CYS chainID: A,
resSeq: 430,
molecule: Protein CYP51
oxidoreductase
oligomeric count: 1
pocket vol.: 460.0 Å3
d(Fe-oop): 0.006 Å
1YN chainID: A, resSeq: 502,

molecule: 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one

6azu-A-501
sad. +0.26
ruf. -0.27
dom. -0.33
bre. +0.03
ALA chainID: A,
resSeq: 264,
molecule: Indoleamine 2,3-dioxygenase 1
oxidoreductase
oligomeric count: 1
pocket vol.: 486.0 Å3
d(Fe-oop): 0.062 Å
HIS chainID: A, resSeq: 346,

molecule: Indoleamine 2,3-dioxygenase 1

6azu-B-501
sad. +0.25
ruf. +0.18
dom. -0.16
bre. -0.09
ALA chainID: B,
resSeq: 264,
molecule: Indoleamine 2,3-dioxygenase 1
oxidoreductase
oligomeric count: 1
pocket vol.: 516.0 Å3
d(Fe-oop): 0.111 Å
HIS chainID: B, resSeq: 346,

molecule: Indoleamine 2,3-dioxygenase 1

6azu-C-501
sad. +0.55
ruf. -0.53
dom. -0.36
bre. -0.07
ALA chainID: C,
resSeq: 264,
molecule: Indoleamine 2,3-dioxygenase 1
oxidoreductase
oligomeric count: 1
pocket vol.: 511.0 Å3
d(Fe-oop): 0.086 Å
HIS chainID: C, resSeq: 346,

molecule: Indoleamine 2,3-dioxygenase 1

6azu-D-501
sad. +0.26
ruf. -0.33
dom. -0.06
bre. -0.19
ALA chainID: D,
resSeq: 264,
molecule: Indoleamine 2,3-dioxygenase 1
oxidoreductase
oligomeric count: 1
pocket vol.: 549.0 Å3
d(Fe-oop): 0.089 Å
HIS chainID: D, resSeq: 346,

molecule: Indoleamine 2,3-dioxygenase 1

6b11-A-501
sad. -0.15
ruf. -0.24
dom. -0.23
bre. +0.10
CYS chainID: A,
resSeq: 369,
molecule: 20-oxo-5-O-mycaminosyltylactone 23-monooxygenase
oxidoreductase
oligomeric count: 1
pocket vol.: 425.0 Å3
d(Fe-oop): 0.041 Å
Not assigned.
6b11-B-501
sad. -0.10
ruf. -0.31
dom. -0.14
bre. +0.12
CYS chainID: B,
resSeq: 369,
molecule: 20-oxo-5-O-mycaminosyltylactone 23-monooxygenase
oxidoreductase
oligomeric count: 1
pocket vol.: 409.0 Å3
d(Fe-oop): 0.031 Å
Not assigned.
6b82-A-601
sad. -0.08
ruf. +0.10
dom. -0.10
bre. -0.01
CYS chainID: A,
resSeq: 453,
molecule: Cytochrome P450, family 17, subfamily A, polypeptide 1
oxidoreductase
oligomeric count: 2
pocket vol.: 463.0 Å3
d(Fe-oop): 0.074 Å
AER chainID: A, resSeq: 602,

molecule: Abiraterone

6b82-B-601
sad. -0.07
ruf. +0.37
dom. -0.17
bre. -0.01
CYS chainID: B,
resSeq: 453,
molecule: Cytochrome P450, family 17, subfamily A, polypeptide 1
oxidoreductase
oligomeric count: 2
pocket vol.: 462.0 Å3
d(Fe-oop): 0.007 Å
AER chainID: B, resSeq: 602,

molecule: Abiraterone

6b9b-A-801
sad. -0.91
ruf. +0.05
dom. +0.18
bre. -0.13
TOX chainID: A,
resSeq: 111,
molecule: Catalase-peroxidase
oxidoreductase
oligomeric count: 2
pocket vol.: 384.0 Å3
d(Fe-oop): 0.074 Å
HIS chainID: A, resSeq: 279,

molecule: Catalase-peroxidase