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ID of heme Axial ligands on heme Function & structure
5e7y-B-501
sad. -0.04
ruf. -0.28
dom. -0.01
bre. -0.10
CYS chainID: B,
resSeq: 400,
molecule: Bifunctional P-450/NADPH-P450 reductase
oxidoreductase
oligomeric count: 2
pocket vol.: 452.0 Å3
d(Fe-oop): 0.031 Å
HOH chainID: B, resSeq: 635,

molecule: water

5e83-A-201
sad. +0.14
ruf. -0.16
dom. -0.19
bre. -0.03
HIS chainID: A,
resSeq: 87,
molecule: Hemoglobin subunit alpha
oxygen carrier
oligomeric count: 4
pocket vol.: 533.0 Å3
d(Fe-oop): 0.011 Å
CMO chainID: A, resSeq: 202,

molecule: CARBON MONOXIDE

5e83-B-201
sad. +0.11
ruf. -0.35
dom. -0.11
bre. -0.02
HIS chainID: B,
resSeq: 92,
molecule: Hemoglobin subunit beta
oxygen carrier
oligomeric count: 4
pocket vol.: 531.0 Å3
d(Fe-oop): 0.008 Å
CMO chainID: B, resSeq: 202,

molecule: CARBON MONOXIDE

5e83-C-201
sad. +0.08
ruf. -0.07
dom. -0.22
bre. -0.03
HIS chainID: C,
resSeq: 87,
molecule: Hemoglobin subunit alpha
oxygen carrier
oligomeric count: 4
pocket vol.: 514.0 Å3
d(Fe-oop): 0.016 Å
CMO chainID: C, resSeq: 202,

molecule: CARBON MONOXIDE

5e83-D-201
sad. +0.11
ruf. -0.32
dom. -0.14
bre. -0.04
HIS chainID: D,
resSeq: 92,
molecule: Hemoglobin subunit beta
oxygen carrier
oligomeric count: 4
pocket vol.: 547.0 Å3
d(Fe-oop): 0.009 Å
CMO chainID: D, resSeq: 202,

molecule: CARBON MONOXIDE

5eab-A-601
sad. +0.07
ruf. -0.22
dom. +0.20
bre. -0.15
CYS chainID: A,
resSeq: 470,
molecule: Lanosterol 14-alpha demethylase
oxidoreductase
oligomeric count: 1
pocket vol.: 480.0 Å3
d(Fe-oop): 0.076 Å
TBX chainID: A, resSeq: 602,

molecule: (3~{S})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol

5eac-A-601
sad. +0.11
ruf. -0.25
dom. +0.15
bre. -0.25
CYS chainID: A,
resSeq: 470,
molecule: Lanosterol 14-alpha demethylase
oxidoreductase
oligomeric count: 1
pocket vol.: 471.0 Å3
d(Fe-oop): 0.071 Å
TBQ chainID: A, resSeq: 602,

molecule: (3~{R})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol

5ead-A-601
sad. +0.06
ruf. -0.25
dom. +0.23
bre. -0.27
CYS chainID: A,
resSeq: 470,
molecule: Lanosterol 14-alpha demethylase
oxidoreductase
oligomeric count: 1
pocket vol.: 478.0 Å3
d(Fe-oop): 0.064 Å
5L9 chainID: A, resSeq: 602,

molecule: (2~{S})-2-(1-chloranylcyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol

5eae-A-602
sad. +0.03
ruf. -0.15
dom. +0.34
bre. -0.23
CYS chainID: A,
resSeq: 470,
molecule: Lanosterol 14-alpha demethylase
oxidoreductase
oligomeric count: 1
pocket vol.: 481.0 Å3
d(Fe-oop): 0.034 Å
5L8 chainID: A, resSeq: 601,

molecule: (2~{R})-2-(1-chloranylcyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol

5eaf-A-601
sad. +0.10
ruf. -0.18
dom. +0.24
bre. -0.19
CYS chainID: A,
resSeq: 470,
molecule: Lanosterol 14-alpha demethylase
oxidoreductase
oligomeric count: 1
pocket vol.: 464.0 Å3
d(Fe-oop): 0.115 Å
FQC chainID: A, resSeq: 602,

molecule: 3-(2,4-dichlorophenyl)-6-fluoranyl-2-(1,2,4-triazol-1-yl)quinazolin-4-one

5eaf-B-601
sad. +0.09
ruf. -0.19
dom. +0.26
bre. -0.12
CYS chainID: B,
resSeq: 470,
molecule: Lanosterol 14-alpha demethylase
oxidoreductase
oligomeric count: 1
pocket vol.: 467.0 Å3
d(Fe-oop): 0.070 Å
FQC chainID: B, resSeq: 602,

molecule: 3-(2,4-dichlorophenyl)-6-fluoranyl-2-(1,2,4-triazol-1-yl)quinazolin-4-one

5eag-A-602
sad. +0.03
ruf. -0.11
dom. +0.23
bre. -0.28
CYS chainID: A,
resSeq: 470,
molecule: Lanosterol 14-alpha demethylase
oxidoreductase
oligomeric count: 1
pocket vol.: 487.0 Å3
d(Fe-oop): 0.101 Å
5LU chainID: A, resSeq: 601,

molecule: Prochloraz

5eah-A-601
sad. +0.24
ruf. -0.11
dom. +0.16
bre. -0.21
5LW chainID: A,
resSeq: 603,
molecule: 1-[[(2~{S},4~{S})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
oxidoreductase
oligomeric count: 1
pocket vol.: 476.0 Å3
d(Fe-oop): 0.076 Å
5LX chainID: A, resSeq: 604,

molecule: 1-[[(2~{R},4~{S})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole

5edt-A-401
sad. -0.71
ruf. -0.81
dom. +0.19
bre. -0.42
CYS chainID: A,
resSeq: 345,
molecule: Cytochrome P450 121
oxidoreductase
oligomeric count: 1
pocket vol.: 455.0 Å3
d(Fe-oop): 0.403 Å
HOH chainID: A, resSeq: 503,

molecule: water

5ee4-C-201
sad. +0.10
ruf. +0.01
dom. -0.27
bre. +0.08
HIS chainID: C,
resSeq: 87,
molecule: Hemoglobin subunit alpha
oxygen carrier
oligomeric count: 3
pocket vol.: 588.0 Å3
d(Fe-oop): 0.078 Å
OXY chainID: C, resSeq: 202,

molecule: OXYGEN MOLECULE

5ee4-D-201
sad. +0.13
ruf. -0.15
dom. -0.21
bre. +0.01
HIS chainID: D,
resSeq: 92,
molecule: Hemoglobin subunit beta
oxygen carrier
oligomeric count: 3
pocket vol.: 549.0 Å3
d(Fe-oop): 0.025 Å
OXY chainID: D, resSeq: 202,

molecule: OXYGEN MOLECULE

5ee4-E-201
sad. +0.15
ruf. -0.18
dom. -0.29
bre. +0.10
HIS chainID: E,
resSeq: 87,
molecule: Hemoglobin subunit alpha
oxygen carrier
oligomeric count: 3
pocket vol.: 537.0 Å3
d(Fe-oop): 0.083 Å
OXY chainID: E, resSeq: 202,

molecule: OXYGEN MOLECULE

5ee4-F-201
sad. +0.21
ruf. -0.21
dom. -0.19
bre. -0.11
HIS chainID: F,
resSeq: 92,
molecule: Hemoglobin subunit beta
oxygen carrier
oligomeric count: 3
pocket vol.: 567.0 Å3
d(Fe-oop): 0.041 Å
OXY chainID: F, resSeq: 202,

molecule: OXYGEN MOLECULE

5eet-A-201
sad. +0.05
ruf. +0.51
dom. -0.07
bre. +0.06
HIS chainID: A,
resSeq: 64,
molecule: Neuroglobin
oxygen carrier
oligomeric count: 1
pocket vol.: 533.0 Å3
d(Fe-oop): 0.007 Å
HIS chainID: A, resSeq: 96,

molecule: Neuroglobin

5ejt-A-301
sad. -0.59
ruf. +0.26
dom. -0.00
bre. -0.19
HIS chainID: A,
resSeq: 175,
molecule: Cytochrome c peroxidase, mitochondrial
oxidoreductase
oligomeric count: 1
pocket vol.: 401.0 Å3
d(Fe-oop): 0.214 Å
HOH chainID: A, resSeq: 557,

molecule: water